LIFE SCIENCE
COSMOsim – Propionic Acid Similarities
- Propionic acid bioisosters were searched in the COSMOfrag DB.
- Among other carboxylic acids some non-carboxylic acids were found within the top 16 hits. Some of them are known bioisosters while others are new.
| CCC(=O)O | 0 | 1 |
| OC(=O)C=C | 1 | 0.8169 |
| CCCC(=O)O | 2 | 0.7996 |
| CC=CC(=O)O | 3 | 0.791 |
| CC(=C)C(=O)O | 4 | 0.765 |
| CC=CC(=O)O | 5 | 0.7584 |
| CC(C)C(=O)O | 6 | 0.7487 |
| OCC1CO1 | 7 | 0.7269 |
| CC(O)C#N | 8 | 0.7233 |
| Oc1nnns1 | 9 | 0.7171 |
| CC(O)C(=O)O | 10 | 0.7109 |
| CC(=O)O | 11 | 0.7052 |
| Clc1nnn[nH]1 | 12 | 0.7041 |
| CC(=NO)C | 13 | 0.6983 |
| OCCC(=O)O | 14 | 0.6978 |
| CC(=O)C=NO | 15 | 0.6919 |
| Oc1csnn1 | 16 | 0.6885 |
| OC(=O)C1CCC1 | 17 | 0.6817 |
| OCCS | 18 | 0.6804 |
| CC1CC1C(=O)O | 19 | 0.6767 |
Example by Dr. M. Thormann, Morphochem AG
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