⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4252444 | 0.89 | DNM1 (0.32) | — | |
| SCHEMBL78616 | 0.88 | TSHR (0.40) | — | |
| SCHEMBL2976655 | 0.82 | — | — | |
| SCHEMBL4251512 | 0.80 | — | — | |
| SCHEMBL11125895 | 0.80 | DNM1 (0.52) | — | |
| SCHEMBL4127901 | 0.79 | DNM1 (0.50) | — | |
| SCHEMBL4395109 | 0.77 | DNM1 (0.55) | — | |
| SCHEMBL7646024 | 0.77 | DNM1 (0.55) | — | |
| SCHEMBL1405732 | 0.77 | DNM1 (0.55) | — | |
| SCHEMBL11071352 | 0.77 | DNM1 (0.55) | — |
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-1542975-B1 | 9-CYANO-SUBSTITUTED PERYLENE-3,4-DICARBOXYLIC ACID MONOIMIDES | BASF SE (DE) | 2016-03-09 | — | — | EP | disclosed |
| US-7550606-B2 | 9-cyano-substituted perylene-3,4-dicarboxylic acid monoimides | BASF AKTIENGESELLSCHAFT (DE) | 2009-06-23 | — | — | US | disclosed |
| US-20090023937-A1 | 9-CYANO-SUBSTITUTED PERYLENE-3,4-DICARBOXYLIC ACID MONOIMIDES | BASF AKTIENGESELLSCHAFT (DE) | 2009-01-22 | — | — | US | disclosed |
| US-7446198-B2 | 9-Cyano-substituted perylene-3, 4-dicarboxylic monoimides | BASF AKTIENGESELLSCHAFT (DE) | 2008-11-04 | — | — | US | disclosed |
| US-20060229385-A1 | 9-Cyano-Substituted Perylene-3, 4-Dicarboxylic Monoimides | BASF AKTIENGESELLSCHAFT (DE) | 2006-10-12 | — | — | US | disclosed |
| EP-1542975-A2 | 9-CYANO-SUBSTITUTED PERYLENE-3,4-DICARBOXYLIC ACID MONOIMIDES | BASF AKTIENGESELLSCHAFT (DE) | 2005-06-22 | — | — | EP | disclosed |
| WO-2004029028-A2 | 9-CYANO-SUBSTITUTED PERYLENE-3,4-DICARBOXYLIC ACID MONOIMIDES AS DYESTUFFS | BASF AKTIENGESELLSCHAFT (DE) | 2004-04-08 | — | — | WO | disclosed |