⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL150439 | 0.71 | GABRA1 (0.43) | — | |
| SCHEMBL15565000 | 0.69 | — | — | |
| SCHEMBL224456 | 0.69 | GABRA1 (0.48) | — | |
| SCHEMBL7722741 | 0.69 | — | — | |
| SCHEMBL11707700 | 0.69 | TSHR (0.37) | — | |
| SCHEMBL8391443 | 0.67 | HPN (0.33) | — | |
| SCHEMBL8961274 | 0.65 | CYP1A2 (0.34) | — | |
| SCHEMBL6165725 | 0.65 | ALDH1A1 (0.36) | — | |
| SCHEMBL9240897 | 0.65 | HPN (0.52) | — | |
| SCHEMBL2821369 | 0.64 | ACHE (0.39) | — |
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-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 |