⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22642927 | 0.83 | HTR6 (0.32) | — | |
| SCHEMBL17323674 | 0.77 | MAP2K2 (0.34) | — | |
| SCHEMBL588850 | 0.77 | MAP2K2 (0.32) | — | |
| SCHEMBL10137829 | 0.74 | ACACB (0.41) | — | |
| SCHEMBL10188715 | 0.72 | ACACB (0.42) | — | |
| SCHEMBL29161609 | 0.72 | CDK4 (0.31) | — | |
| SCHEMBL22114351 | 0.68 | HDAC6 (0.45) | — | |
| SCHEMBL2114589 | 0.68 | PTGS2 (0.33) | — | |
| SCHEMBL591171 | 0.68 | MEN1 (0.36) | — | |
| SCHEMBL16486163 | 0.67 | PSMB5 (0.38) | — |
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 3 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 |
| WO-2014117090-A1 | METALLOENZYME INHIBITOR COMPOUNDS | VIAMET PHARMACEUTICALS, INC. (US) | 2014-07-31 | — | — | WO | disclosed |