⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13060575 | 0.89 | CNR2 (0.30) | — | |
| SCHEMBL13060340 | 0.87 | SMN1; SMN2 (0.34) | — | |
| SCHEMBL13060541 | 0.85 | CNR2 (0.32) | — | |
| SCHEMBL14067635 | 0.83 | CNR2 (0.31) | — | |
| SCHEMBL13060353 | 0.81 | MAPT (0.35) | — | |
| SCHEMBL13004384 | 0.80 | — | — | |
| SCHEMBL13060528 | 0.80 | — | — | |
| SCHEMBL13060536 | 0.79 | HPGD (0.33) | — | |
| SCHEMBL13060342 | 0.79 | CNR2 (0.33) | — | |
| SCHEMBL3767409 | 0.79 | NOTUM (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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7846956-B2 | Malononitrile compound as pesticides | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2010-12-07 | — | — | US | disclosed |
| US-20090149425-A1 | Malononitrile compound as pesticides | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2009-06-11 | — | — | US | disclosed |
| EP-1704143-B1 | MALONONITRILE COMPOUND AS PESTICIDES | SUMITOMO CHEMICAL CO (JP) | 2008-09-03 | — | — | EP | disclosed |