⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4042314 | 0.82 | CSNK1E (0.33) | — | |
| SCHEMBL4037874 | 0.74 | — | — | |
| Trifluoroacetic Acid SCHEMBL4039390 | 0.70 | HTR2A (0.32) | — | |
| SCHEMBL4036480 | 0.69 | CSNK1E (0.31) | — | |
| SCHEMBL4042066 | 0.68 | — | — | |
| SCHEMBL4044863 | 0.65 | SCN9A (0.34) | — | |
| Trifluoroacetic Acid SCHEMBL4038370 | 0.61 | CSNK1E (0.36) | — | |
| SCHEMBL6421096 | 0.58 | HTR3A (0.35) | — | |
| SCHEMBL20541071 | 0.57 | KDM4E (0.34) | — | |
| SCHEMBL13964438 | 0.57 | CSNK1E (0.38) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1436291-B1 | INDOLIZINES AS KINASE PROTEIN INHIBITORS | AVENTIS PHARMA SA (FR) | 2009-01-14 | — | — | EP | disclosed |
| US-20070238734-A1 | JNK INHIBITORS | SANOLI-AVENTIS (FR) | 2007-10-11 | — | — | US | disclosed |
| US-7148215-B2 | Prodrugs as antihistamines or anticarcinogenic agents | AVENTIS PHARMA S.A. (FR) | 2006-12-12 | — | — | US | disclosed |
| US-20050009831-A1 | Pyrrolo[1,2-a]pyrazine-8-carboxamides are JNK inhibitors, useful as anticarcinogenic agents | AVENTIS PHARMA S.A, (FR) | 2005-01-13 | — | — | US | disclosed |