⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6824819 | 0.78 | — | — | |
| SCHEMBL4058604 | 0.72 | ALDH1A1 (0.36) | — | |
| SCHEMBL4655982 | 0.72 | — | — | |
| SCHEMBL6839306 | 0.72 | SMN1; SMN2 (0.36) | — | |
| SCHEMBL6840001 | 0.71 | LMNA (0.31) | — | |
| SCHEMBL6824706 | 0.71 | CXCR2 (0.32) | — | |
| SCHEMBL6825198 | 0.71 | TAAR1 (0.33) | — | |
| SCHEMBL6835174 | 0.66 | TAAR1 (0.38) | — | |
| SCHEMBL6826921 | 0.64 | LOXL2 (0.42) | — | |
| SCHEMBL6839275 | 0.64 | ALDH1A1 (0.39) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20040142821-A1 | Pesticide composition comprising malononitrile compounds | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2004-07-22 | — | — | US | disclosed |