⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL663530 | 1.00 | — | — | |
| SCHEMBL465812 | 1.00 | — | — | |
| SCHEMBL22806504 | 0.79 | — | — | |
| SCHEMBL22806505 | 0.79 | — | — | |
| SCHEMBL13823332 | 0.79 | — | — | |
| SCHEMBL28161197 | 0.78 | — | — | |
| SCHEMBL24450480 | 0.78 | — | — | |
| SCHEMBL13693532 | 0.78 | — | — | |
| SCHEMBL25843626 | 0.78 | — | — | |
| SCHEMBL23394377 | 0.75 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20160318862-A1 | SYNTHESIS OF DELTA 12-PGJ3 AND RELATED COMPOUNDS | WILLIAM MARSH RICE UNIVERSITY (US) | 2016-11-03 | — | — | US | disclosed |
| EP-1994004-B9 | 1,4-DISUBSTITUTED 3-CYANO-PYRIDONE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR2-RECEPTORS | JANSSEN PHARMACEUTICALS INC (US) | 2013-04-17 | — | — | EP | disclosed |