Here is a list of about 120 organic compounds arranged according to their composition. I chose the number 120 because the periodic table currently lists 118 elements. And also because I got tired of copying and pasting. Most of the entries are medicines from the WHO list of essential medicines.
The beauty of the periodic table is that it allowed chemists to predict the existence and properties of elements before they were discovered. This is because the closer elements are on the table, the more alike they are. In the same way, if we compare similar organic compounds, we can predict the existence of compounds that haven't been discovered or synthesized yet. Those chemicals could have useful properties or be cheaper to synthesize than existing ones with the same use.
Comparative anatomy and linguistics are well-established fields with proven results. It is time to take a similar approach to chemistry.
In my method, the number of carbon atoms acts like the atomic number of an element. The element groups act like groups and periods.
For example, we can see that there is a big gap between aflatoxin and ivermectin in the CHO group. Within that gap are a bunch of vitamins and hormones. Could there be useful medicines yet to be discovered lurking in that gap? Probably. After penicillin was discovered, there was a race to collect species of fungi to see if more antibiotics could be found.
Antibiotic resistance is a serious problem, and of course, there's plenty of money to be made in discovering a new one. Based on the table below, there ought to be more research into organic compounds containing sulfur and phosphorus.
To give another example of how to use the table, we see that streptomycin with 21 carbon atoms fits in perfectly between quinine (20 carbon atoms) and doxycycline (22 carbon atoms). This implies there are similar molecules in the CHNO family with antibacterial or antimalarial properties.
Ideally, I'd fill out this list with a few thousand chemicals and run it through a neural net to train it to identify medicines. I am currently work on an NSF Seed Fund grant proposal for that. If you would like to help with that, please leave a comment or email me at: harty.thomas@gmail.com
It would be great to organize the Beilstein database like this but would take forever unless there some way to write a computer to organize the electronic version. The current database has millions of entries.
As a future step, I'd like to repeat this method for proteins. That is, ordering them by amino acids. I know the key to understanding proteins is their 3D shape, but to keep things simple, I'd start by just organizing them by which amino acids they contained.
Science marches on. Feel free to enjoy this relevant musical interlude (chemistry starts at 1:10 mark):
CN, CNX = poisons, antidotes, coolants
CH, CHX = aromatic compounds, pesticides
CHN, CHNX = stimulants, depressants
CHO, CHOX = fat soluble vitamins, hormones, artificial flavors, fuel additives
CHNO = water soluble vitamins, neurotransmitters, amino acids, opioids, painkillers, pesticides, psychoactive drugs, antidotes
CHNOX = other water soluble vitamins, other amino acids, other hormones, pesticides, nerve gas, antibiotics
CX, CN, CNX
Prussian blue C₁₈Fe₇N₁₈
hydrogen cyanide HCN
teflon (C2F2)n
freon CCl₂F₂
PVC (C2H3Cl)n
phosgene COCl₂
CH, CHX
benzene C₆H₆
DDT C₁₄H₉Cl₅
dichlorobenzene C₆H₄Cl₂
styrene C₈H₈
CHO, CHOX
aspirin C₉H₈O₄
ethanol C₂H₆O
ibuprofen C₁₃H₁₈O₂
vitamin A C₂₀H₃₀O
vitamin B8 C₆H₁₂O₆
vitamin C C₆H₈O₆
vitamin D C₂₈H₄₄O
vitamin E C₂₉H₅₀O₂
vitamin K C₃₁H₄₆O₂
prostacyclin C₂₀H₃₂O₅
aldosterone C₂₁H₂₈O₅
testosterone C₁₉H₂₈O₂
estrogen C₁₈H₂₄O₂
progesterone C₂₁H₃₀O₂
cortisol C₂₁H₃₀O₅
vanillin C₈H₈O₃
isoamyl acetate C₇H₁₄O₂
prednisolone C₂₁H₂₈O₅
sarin C₄H₁₀FO₂P
ivermectin C48H74O14
aflatoxin C17H12O6
formic acid CH₂O₂
MTBE C₅H₁₂O
polyester (C10H8O4)n
permethrin C21H20Cl2O3
CHN, CHNX
amphetamine C₉H₁₃N
histamine C₅H₉N₃
midazolam C₁₈H₁₃ClFN₃
tear gas C10H5ClN2
hydralazine C₈H₈N₄
CHNO
vitamin B2 C₁₇H₂₀N₄O₆
vitamin B3 C₆H₅NO₂
vitamin B5 C₉H₁₇NO₅
vitamin B6 C₈H₁₁NO₃
vitamin B9 C₁₉H₁₉N₇O₆
choline [(CH₃)₃NCH₂CH₂OH]+
dopamine C₈H₁₁NO₂
serotonin C₁₀H₁₂N₂O
epinephrine C₉H₁₃NO₃
acetylcholine C₇H₁₆NO₂
glutamic acid C₅H₉NO₄
GABA C₄H₉NO₂
norepinephrine C₈H₁₁NO₃
glycine C₂H₅NO₂
melatonin C₁₃H₁₆N₂O₂
histidine C₆H₉N₃O₂
isoleucine C₆H₁₃NO₂
leucine C₆H₁₃NO₂
lysine C₆H₁₄N₂O₂
phenylalanine C₉H₁₁NO₂
threonine C₄H₉NO₃
tryptophan C₁₁H₁₂N₂O₂
valine C₅H₁₁NO₂
cocaine C₁₇H₂₁NO₄
morphine C₁₇H₁₉NO₃
heroin C₂₁H₂₃NO₅
fentanyl C₂₂H₂₈N₂O
acetaminophen C₈H₉NO₂
codeine C₁₈H₂₁NO₃
LSD C₂₀H₂₅N₃O
auxin C₁₀H₉NO₂
lidocaine C₁₄H₂₂N₂O
atropine C17H23NO3
scopolamine C₁₇H₂₁NO₄
caffeine C₈H₁₀N₄O₂
ondansetron C18H19N3O
naloxone C₁₉H₂₁NO₄
quinine C₂₀H₂₄N₂O₂
phenobarbital C₁₂H₁₂N₂O₃
tetrodotoxin C₁₁H₁₇N₃O₈
doxycycline C₂₂H₂₄N₂O₈
azithromycin C₃₈H₇₂N₂O₁₂
ethambutol C₁₀H₂₄N₂O₂
streptomycin C₂₁H₃₉N₇O₁₂
acyclovir C₈H₁₁N₅O₃
ribavirin C₈H₁₂N₄O₅
metronidazole C₆H₉N₃O₃
polyacrylamide (C₃H₅NO)n
nylon (C6H11NO)n
bisoprolol C₁₈H₃₁NO₄
verapamil C₂₇H₃₈N₂O₄
digoxin C₄₁H₆₄O₁₄
urea CO(NH₂)₂
CHNOX
vitamin B1 C₁₂H₁₇N₄OS+
vitamin B7 C₁₀H₁₆N₂O₃S
vitamin B12 C₆₃H₈₈CoN₁₄O₁₄P
methionine C₅H₁₁NO₂S
oxytocin C₄₃H₆₆N₁₂O₁₂S₂
diazepam C₁₆H₁₃ClN₂O
fluoxetine C₁₇H₁₈F₃NO
metoclopramide C₁₄H₂₂ClN₃O₂
ketamine C13H16ClNO
triiodothyronine C₁₅H₁₂I₃NO₄
glyphosate C₃H₈NO₅P
VX C₁₁H₂₆NO₂PS
cladribine C10H12ClN5O3
albendazole C₁₂H₁₅N₃O₂S
amoxicillin C₁₆H₁₉N₃O₅S
ampicillin C₁₆H₁₉N₃O₄S
penicillin C₁₆H₁₈N₂O₄S
chloramphenicol C₁₁H₁₂Cl₂N₂O₅
ciprofloxacin C₁₇H₁₈FN₃O₃
sildenafil C22H30N6O4S
clotrimazole C₂₂H₁₇ClN₂
ritonavir C₃₇H₄₈N₆O₅S₂
keratin C2H2BrClO2
mefloquine C17H16F6N2O
tioguanine C₅H₅N₅S
chlorhexidine C₂₂H₃₀Cl₂N₁₀
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