⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12507375 | 0.86 | PGR (0.30) | — | |
| SCHEMBL2187659 | 0.72 | AR (0.32) | — | |
| SCHEMBL2189169 | 0.72 | AR (0.32) | — | |
| SCHEMBL3979728 | 0.70 | — | — | |
| SCHEMBL12507379 | 0.69 | NPC1 (0.45) | — | |
| SCHEMBL12507627 | 0.69 | AR (0.34) | — | |
| SCHEMBL13804340 | 0.69 | GAA (0.31) | — | |
| SCHEMBL3985530 | 0.69 | AR (0.30) | — | |
| SCHEMBL2192223 | 0.68 | KDM4E (0.33) | — | |
| SCHEMBL13792436 | 0.68 | KDM4E (0.30) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1710234-B1 | MALONONITRILE COMPOUND AND USE THEREOF | SUMITOMO CHEMICAL CO (JP) | 2011-07-13 | — | — | EP | 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 |