⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4594970 | 0.85 | — | — | |
| SCHEMBL4593894 | 0.78 | — | — | |
| SCHEMBL4594428 | 0.77 | — | — | |
| SCHEMBL4594284 | 0.76 | — | — | |
| SCHEMBL6835174 | 0.74 | TAAR1 (0.38) | — | |
| SCHEMBL5711882 | 0.74 | ALDH1A1 (0.44) | — | |
| SCHEMBL6839306 | 0.70 | SMN1; SMN2 (0.36) | — | |
| SCHEMBL6824050 | 0.70 | PYCR1 (0.39) | — | |
| SCHEMBL6840030 | 0.69 | KIF11 (0.40) | — | |
| SCHEMBL15821835 | 0.69 | MEN1 (0.32) | — |
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 |