⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4722845 | 0.80 | — | — | |
| SCHEMBL4764157 | 0.73 | — | — | |
| SCHEMBL6591160 | 0.71 | — | — | |
| SCHEMBL6641400 | 0.71 | — | — | |
| SCHEMBL11967752 | 0.70 | ELANE (0.38) | — | |
| SCHEMBL4724154 | 0.70 | HCAR3 (0.37) | — | |
| SCHEMBL4721756 | 0.70 | GBA1 (0.35) | — | |
| SCHEMBL4723841 | 0.67 | HRH3 (0.36) | — | |
| SCHEMBL4724016 | 0.67 | HCAR3 (0.35) | — | |
| SCHEMBL21938419 | 0.66 | MLYCD (0.34) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-105431418-B | Metalloenzyme Inhibitor Compounds | 北卡罗来纳维亚梅特制药公司 | 2019-02-05 | — | — | CN | disclosed |
| 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 |