⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4658445 | 0.81 | IDO1 (0.35) | — | |
| SCHEMBL4723541 | 0.79 | MAOB (0.33) | — | |
| SCHEMBL4658834 | 0.77 | MAOA (0.33) | — | |
| SCHEMBL4658860 | 0.75 | SLC6A4 (0.39) | — | |
| SCHEMBL4657566 | 0.75 | LOXL2 (0.41) | — | |
| SCHEMBL5001946 | 0.75 | CYP2A6 (0.41) | — | |
| SCHEMBL4657169 | 0.75 | ESR1 (0.33) | — | |
| SCHEMBL4657451 | 0.75 | TAAR1 (0.39) | — | |
| SCHEMBL4657371 | 0.75 | ESR1 (0.32) | — | |
| SCHEMBL4657447 | 0.75 | ATM (0.40) | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1385817-B1 | MALONONITRILE COMPOUNDS AND THEIR USE AS PESTICIDES | SUMITOMO CHEMICAL CO (JP) | 2008-12-03 | — | — | EP | disclosed |
| US-7402691-B2 | Malononitrile compounds and their use as pesticides | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2008-07-22 | — | — | US | disclosed |
| US-7011838-B2 | Malononitrile compounds and their use as pesticides | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2006-03-14 | — | — | US | disclosed |
| US-20050209323-A1 | Malononitrile compounds and their use as pesticides | OTAKA KEN | 2005-09-22 | — | — | US | disclosed |
| US-20040138065-A1 | Malononitrile compounds and their use as pesticides | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2004-07-15 | — | — | US | disclosed |
| EP-1385817-A2 | MALONONITRILE COMPOUNDS AND THEIR USE AS PESTICIDES | SUMITOMO CHEMICAL COMPANY LIMITED (JP) | 2004-02-04 | — | — | EP | disclosed |
| WO-2002090320-A2 | MALONONITRILE COMPOUNDS AND THEIR USE AS PESTICIDES | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2002-11-14 | — | — | WO | disclosed |