⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2187720 | 0.84 | AR (0.33) | — | |
| SCHEMBL5515908 | 0.84 | — | — | |
| SCHEMBL2188461 | 0.81 | AR (0.30) | — | |
| SCHEMBL5515922 | 0.78 | — | — | |
| SCHEMBL2901943 | 0.75 | HDAC1 (0.32) | — | |
| Hydrochloric Acid SCHEMBL2186873 | 0.74 | — | — | |
| SCHEMBL6021127 | 0.74 | LRRK2 (0.32) | — | |
| Hydrochloric Acid SCHEMBL2185767 | 0.70 | — | — | |
| SCHEMBL6021123 | 0.69 | — | — | |
| SCHEMBL3984493 | 0.69 | AR (0.33) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1710234-B1 | MALONONITRILE COMPOUND AND USE THEREOF | SUMITOMO CHEMICAL CO (JP) | 2011-07-13 | — | — | EP | disclosed |
| US-7541374-B2 | Malononitrile compounds and use thereof | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2009-06-02 | — | — | US | disclosed |
| US-7541374-B2 | Malononitrile compounds and use thereof | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2009-06-02 | — | — | US | disclosed |
| US-20070117854-A1 | Malononitrile compounds and use thereof | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2007-05-24 | — | — | US | disclosed |
| EP-1710234-A1 | MALONONITRILE COMPOUND AND USE THEREOF | Sumitomo Chemical Company, Limited (JP) | 2006-10-11 | — | — | EP | disclosed |