⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21208806 | 0.64 | — | — | |
| SCHEMBL19979226 | 0.62 | — | — | |
| SCHEMBL16018997 | 0.61 | OPRL1 (0.34) | — | |
| SCHEMBL21208798 | 0.60 | — | — | |
| SCHEMBL21805985 | 0.60 | — | — | |
| SCHEMBL9538304 | 0.60 | — | — | |
| SCHEMBL14262994 | 0.59 | — | — | |
| SCHEMBL12507439 | 0.58 | SMN1; SMN2 (0.31) | — | |
| SCHEMBL11791980 | 0.58 | — | — | |
| SCHEMBL19542109 | 0.57 | — | — |
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 13 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 |
| 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 |
| US-20070117854-A1 | Malononitrile compounds and use thereof | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2007-05-24 | — | — | US | disclosed |
| US-20070117854-A1 | Malononitrile compounds and use thereof | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2007-05-24 | — | — | US | disclosed |
| US-7138361-B2 | Herbicidal heterocycles | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 2006-11-21 | — | — | US | disclosed |
| US-20060229205-A1 | Herbicidal heterocycles | COTTERMAN CLIFFORD D | 2006-10-12 | — | — | US | disclosed |
| EP-1710234-A1 | MALONONITRILE COMPOUND AND USE THEREOF | Sumitomo Chemical Company, Limited (JP) | 2006-10-11 | — | — | EP | disclosed |
| US-20040106520-A1 | Herbicidal heterocycles | E. I. DU PONT DE NEMOURS AND COMPANY | 2004-06-03 | — | — | US | disclosed |
| EP-1337531-A2 | HERBICIDAL HETEROCYCLES | E. I. du Pont de Nemours and Company (US) | 2003-08-27 | — | — | EP | disclosed |
| WO-2002044173-A2 | HERBICIDAL HETEROCYCLES | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 2002-06-06 | — | — | WO | disclosed |