⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4594724 | 0.72 | — | — | |
| SCHEMBL4595882 | 0.71 | — | — | |
| SCHEMBL4595953 | 0.66 | HTR2C (0.41) | — | |
| SCHEMBL25196294 | 0.64 | AR (0.33) | — | |
| SCHEMBL18740984 | 0.61 | ESR1 (0.37) | — | |
| SCHEMBL25223701 | 0.60 | KEAP1 (0.33) | — | |
| SCHEMBL25201044 | 0.60 | TDP1 (0.31) | — | |
| SCHEMBL18741100 | 0.60 | ESR2 (0.43) | — | |
| SCHEMBL16018997 | 0.59 | OPRL1 (0.34) | — | |
| SCHEMBL24880948 | 0.59 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-100412064-C | Malononitrile compounds and its use | SUMITOMO CHEMICAL CO (JP) | 2008-08-20 | — | — | CN | disclosed |
| EP-1555259-B1 | Malononitrile compounds as pesticides | SUMITOMO CHEMICAL CO (JP) | 2008-01-02 | — | — | EP | disclosed |
| CN-1648122-A | Malononitrile compounds and its use | SUMITOMO CHEMICAL CO (JP) | 2005-08-03 | — | — | CN | disclosed |
| EP-1555259-A1 | Malononitrile compounds as pesticides | Sumitomo Chemical Company, Limited (JP) | 2005-07-20 | — | — | EP | disclosed |