⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| Carbamic Acid SCHEMBL7903942 | 0.97 | — | — | |
| Carbamic Acid SCHEMBL7075783 | 0.78 | — | — | |
| SCHEMBL14885 | 0.78 | — | — | |
| Carbamic Acid SCHEMBL6652715 | 0.74 | ACHE (0.58) | — | |
| Hydrochloric Acid SCHEMBL9254177 | 0.73 | — | — | |
| SCHEMBL31099624 | 0.73 | — | — | |
| Carbamic Acid SCHEMBL6017120 | 0.73 | — | — | |
| Carbamic Acid SCHEMBL49149 | 0.73 | — | — | |
| Carbamic Acid SCHEMBL11773571 | 0.73 | ACHE (0.88) | — | |
| Carbamic Acid SCHEMBL304822 | 0.73 | — | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-1999064055-A9 | MULTIVALENT AGONISTS, PARTIAL AGONISTS, INVERSE AGONISTS AND ANTAGONISTS OF THE 5HT4 RECEPTORS | ADVANCED MEDICINE INC (US) | 2002-08-29 | — | — | WO | disclosed |
| WO-1999063939-A9 | MULTIBINDING INHIBITORS OF CYCLOOXYGENASE-2 | ADVANCED MEDICINE INC (US) | 2001-04-12 | — | — | WO | disclosed |
| EP-1085845-A2 | MULTIBINDING INHIBITORS OF CYCLOOXYGENASE-2 | Advanced Medicine, Inc. (US) | 2001-03-28 | — | — | EP | disclosed |
| EP-1085870-A2 | MULTIVALENT AGONISTS, PARTIAL AGONISTS AND ANTAGONISTS OF THE GABA RECEPTORS | Advanced Medicine, Inc. (US) | 2001-03-28 | — | — | EP | disclosed |
| WO-1999063933-A9 | MULTIVALENT AGONISTS, PARTIAL AGONISTS AND ANTAGONISTS OF THE GABA RECEPTORS | ADVANCED MEDICINE INC (US) | 2000-04-27 | — | — | WO | disclosed |
| WO-1999063939-A2 | MULTIBINDING INHIBITORS OF CYCLOOXYGENASE-2 | ADVANCED MEDICINE, INC. (US) | 1999-12-16 | — | — | WO | disclosed |
| WO-1999063933-A2 | MULTIVALENT AGONISTS, PARTIAL AGONISTS AND ANTAGONISTS OF THE GABA RECEPTORS | ADVANCED MEDICINE, INC. (US) | 1999-12-16 | — | — | WO | disclosed |