⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4867280 | 0.95 | CTSK (0.30) | — | |
| SCHEMBL4861183 | 0.86 | CTSK (0.36) | — | |
| SCHEMBL4870531 | 0.84 | CTSS (0.35) | — | |
| SCHEMBL4869137 | 0.84 | CTSK (0.37) | — | |
| SCHEMBL4869374 | 0.83 | CTSK (0.33) | — | |
| SCHEMBL4870067 | 0.82 | CTSK (0.35) | — | |
| SCHEMBL4868437 | 0.81 | CNR2 (0.31) | — | |
| SCHEMBL4869530 | 0.79 | MEN1 (0.39) | — | |
| SCHEMBL4862745 | 0.79 | CTSK (0.32) | — | |
| SCHEMBL27560465 | 0.78 | FFAR1 (0.44) | — |
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-7439266-B2 | Malononitrile compound and use thereof | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2008-10-21 | — | — | US | disclosed |
| US-7439266-B2 | Malononitrile compound and use thereof | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2008-10-21 | — | — | US | disclosed |
| US-20060004092-A1 | Malononitrile compound and use thereof pesticides | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2006-01-05 | — | — | US | disclosed |
| WO-2004020399-A1 | MALONONITRILE COMPOUND AND USE THEREOF AS PESTICIDES | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2004-03-11 | — | — | WO | disclosed |