⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3759536 | 0.85 | — | — | |
| SCHEMBL3773751 | 0.85 | NOTUM (0.34) | — | |
| SCHEMBL2326695 | 0.73 | — | — | |
| SCHEMBL3760799 | 0.73 | CNR2 (0.31) | — | |
| SCHEMBL3773800 | 0.71 | THRB (0.39) | — | |
| SCHEMBL15009179 | 0.69 | SMN1; SMN2 (0.42) | — | |
| SCHEMBL4882335 | 0.67 | TRPM8 (0.33) | — | |
| SCHEMBL5802344 | 0.65 | — | — | |
| SCHEMBL5973112 | 0.65 | TRPA1 (0.30) | — | |
| SCHEMBL5802048 | 0.65 | CNR2 (0.35) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7846956-B2 | Malononitrile compound as pesticides | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2010-12-07 | — | — | US | disclosed |
| US-20090149425-A1 | Malononitrile compound as pesticides | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2009-06-11 | — | — | US | disclosed |
| EP-1704143-B1 | MALONONITRILE COMPOUND AS PESTICIDES | SUMITOMO CHEMICAL CO (JP) | 2008-09-03 | — | — | EP | disclosed |
| EP-1704143-A1 | MALONONITRILE COMPOUND AS PESTICIDES | Sumitomo Chemical Company, Limited (JP) | 2006-09-27 | — | — | EP | disclosed |
| WO-2005068432-A1 | MALONONITRILE COMPOUND AS PESTICIDES | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2005-07-28 | — | — | WO | disclosed |