⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22122123 | 0.75 | — | — | |
| SCHEMBL12449536 | 0.72 | LMNA (0.33) | — | |
| SCHEMBL21718634 | 0.70 | — | — | |
| SCHEMBL21719824 | 0.70 | — | — | |
| SCHEMBL8544628 | 0.70 | — | — | |
| SCHEMBL14198600 | 0.70 | — | — | |
| SCHEMBL1997096 | 0.70 | ALPL (0.35) | — | |
| SCHEMBL21719918 | 0.70 | — | — | |
| SCHEMBL21719905 | 0.67 | — | — | |
| SCHEMBL9344428 | 0.67 | — | — |
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 15 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101538243-B | Malononitrile compounds and their use | SUMITOMO CHEMICAL CO | 2012-05-09 | — | — | CN | disclosed |
| CN-101544606-B | Malononitrile compound and use thereof | SUMITOMO CHEMICAL CO | 2012-02-29 | — | — | CN | disclosed |
| EP-1710234-B1 | MALONONITRILE COMPOUND AND USE THEREOF | SUMITOMO CHEMICAL CO (JP) | 2011-07-13 | — | — | EP | disclosed |
| CN-1910147-B | Malononitrile compounds and their use | SUMITOMO CHEMICAL CO | 2011-04-20 | — | — | CN | disclosed |
| CN-101544606-A | Malononitrile compound and use thereof | SUMITOMO CHEMICAL CO | 2009-09-30 | — | — | CN | disclosed |
| CN-101538243-A | Malononitrile compound and use thereof | SUMITOMO CHEMICAL CO | 2009-09-23 | — | — | CN | 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-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 |
| CN-1910147-A | Malononitrile compounds and their use | SUMITOMO CHEMICAL CO (JP) | 2007-02-07 | — | — | CN | disclosed |
| EP-1710234-A1 | MALONONITRILE COMPOUND AND USE THEREOF | Sumitomo Chemical Company, Limited (JP) | 2006-10-11 | — | — | EP | disclosed |
| EP-0585477-A1 | 1,2,4-triazole derivatives, process and intermediates for their preparation and their use as parasiticides | BASF Aktiengesellschaft (DE) | 1994-03-09 | — | — | EP | disclosed |