⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12507427 | 0.85 | — | — | |
| SCHEMBL3977035 | 0.72 | AR (0.31) | — | |
| SCHEMBL3977791 | 0.71 | AR (0.35) | — | |
| SCHEMBL12507435 | 0.68 | ALDH1A1 (0.40) | — | |
| SCHEMBL3979260 | 0.66 | AR (0.36) | — | |
| SCHEMBL3980807 | 0.64 | AR (0.31) | — | |
| SCHEMBL13060538 | 0.64 | — | — | |
| SCHEMBL12507682 | 0.63 | — | — | |
| SCHEMBL13060267 | 0.63 | MAPK14 (0.36) | — | |
| SCHEMBL3983671 | 0.63 | AR (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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7541374-B2 | Malononitrile compounds and use thereof | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2009-06-02 | — | — | US | disclosed |
| US-7541374-B2 | Malononitrile compounds and use thereof | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2009-06-02 | — | — | US | disclosed |
| US-20070117854-A1 | Malononitrile compounds and use thereof | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2007-05-24 | — | — | US | disclosed |
| US-20070117854-A1 | Malononitrile compounds and use thereof | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2007-05-24 | — | — | US | disclosed |