⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17313816 | 0.82 | GABRR1 (0.41) | — | |
| SCHEMBL6616069 | 0.79 | FOLH1 (0.46) | — | |
| SCHEMBL9633978 | 0.78 | — | — | |
| SCHEMBL2702495 | 0.78 | — | — | |
| SCHEMBL8028147 | 0.77 | ECE1 (0.44) | — | |
| SCHEMBL8610930 | 0.76 | CA2 (0.42) | — | |
| SCHEMBL4410360 | 0.76 | — | — | |
| SCHEMBL3674350 | 0.76 | — | — | |
| SCHEMBL1538944 | 0.76 | — | — | |
| SCHEMBL5416059 | 0.73 | FOLH1 (0.57) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9663488-B2 | Metalloenzyme inhibitor compounds | VIAMET PHARMACEUTICALS, INC. (US) | 2017-05-30 | — | — | US | disclosed |
| US-20150353546-A1 | METALLOENZYME INHIBITOR COMPOUNDS | Viamet Pharmaceuticals (NC), Inc. | 2015-12-10 | — | — | US | disclosed |
| EP-2948450-A1 | METALLOENZYME INHIBITOR COMPOUNDS | Viamet Pharmaceuticals, Inc. (US) | 2015-12-02 | — | — | EP | disclosed |
| WO-2014117090-A1 | METALLOENZYME INHIBITOR COMPOUNDS | VIAMET PHARMACEUTICALS, INC. (US) | 2014-07-31 | — | — | WO | disclosed |