⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL861722 | 0.68 | — | — | |
| SCHEMBL3760772 | 0.68 | EGFR (0.30) | — | |
| SCHEMBL5789402 | 0.67 | ALDH1A1 (0.35) | — | |
| SCHEMBL16237641 | 0.66 | — | — | |
| SCHEMBL16245774 | 0.65 | — | — | |
| SCHEMBL3763793 | 0.63 | ALDH1A1 (0.38) | — | |
| SCHEMBL16245951 | 0.61 | — | — | |
| SCHEMBL19178951 | 0.58 | ACHE (0.33) | — | |
| SCHEMBL5320376 | 0.58 | — | — | |
| SCHEMBL10960567 | 0.56 | — | — |
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-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 |