⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4594285 | 0.78 | — | — | |
| SCHEMBL2413441 | 0.68 | ALDH1A1 (0.40) | — | |
| SCHEMBL4594902 | 0.68 | — | — | |
| SCHEMBL28944781 | 0.64 | PTGS2 (0.42) | — | |
| SCHEMBL12143311 | 0.62 | NPC1 (0.42) | — | |
| SCHEMBL31754300 | 0.62 | HSD17B10 (0.49) | — | |
| SCHEMBL16835367 | 0.61 | KDM4E (0.43) | — | |
| SCHEMBL1557133 | 0.61 | LMNA (0.41) | — | |
| SCHEMBL27371612 | 0.61 | NPC1 (0.38) | — | |
| SCHEMBL23036852 | 0.60 | KIF11 (0.40) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1555259-B1 | Malononitrile compounds as pesticides | SUMITOMO CHEMICAL CO (JP) | 2008-01-02 | — | — | EP | disclosed |
| EP-1555259-A1 | Malononitrile compounds as pesticides | Sumitomo Chemical Company, Limited (JP) | 2005-07-20 | — | — | EP | disclosed |