⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21231138 | 0.67 | — | — | |
| SCHEMBL22968355 | 0.67 | — | — | |
| SCHEMBL22779329 | 0.62 | — | — | |
| SCHEMBL22817431 | 0.59 | HSD17B1 (0.36) | — | |
| Ammonia Solution, Strong SCHEMBL22189934 | 0.44 | — | — | |
| Fluoride SCHEMBL21816906 | 0.39 | CA1 (0.57) | — | |
| SCHEMBL30577822 | 0.39 | CA12 (0.57) | — | |
| SCHEMBL29031998 | 0.39 | CA12 (0.57) | — | |
| SCHEMBL29032005 | 0.39 | CA12 (0.57) | — | |
| SCHEMBL7104332 | 0.36 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9688671-B2 | Metalloenzyme inhibitor compounds | VIAMET PHARMACEUTICALS, INC. (US) | 2017-06-27 | — | — | US | disclosed |
| US-20160130263-A1 | METALLOENZYME INHIBITOR COMPOUNDS | VIAMET PHARMACEUTICALS, INC. (US) | 2016-05-12 | — | — | US | disclosed |
| EP-3008051-A1 | METALLOENZYME INHIBITOR COMPOUNDS | Viamet Pharmaceuticals, Inc. (US) | 2016-04-20 | — | — | EP | disclosed |
| WO-2014201161-A1 | METALLOENZYME INHIBITOR COMPOUNDS | VIAMET PHARMACEUTICALS, INC. (US) | 2014-12-18 | — | — | WO | disclosed |
| EP-1329160-A2 | 4-ACYLAMINOPYRAZOLE DERIVATIVES | Sankyo Company, Limited (JP) | 2003-07-23 | — | — | EP | disclosed |