⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2185976 | 0.71 | CXCR3 (0.30) | — | |
| SCHEMBL3983193 | 0.67 | CHRM3 (0.31) | — | |
| SCHEMBL7464070 | 0.66 | ADRB3 (0.46) | — | |
| SCHEMBL2188461 | 0.64 | AR (0.30) | — | |
| SCHEMBL10529956 | 0.62 | — | — | |
| SCHEMBL6865368 | 0.62 | — | — | |
| SCHEMBL6864001 | 0.62 | — | — | |
| SCHEMBL18033549 | 0.61 | HSD17B10 (0.36) | — | |
| SCHEMBL13792503 | 0.59 | — | — | |
| SCHEMBL9810639 | 0.57 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| 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 |