⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25308520 | 1.00 | — | — | |
| SCHEMBL5576184 | 1.00 | — | — | |
| SCHEMBL13536755 | 0.83 | ALOX5 (0.39) | — | |
| SCHEMBL4704141 | 0.80 | — | — | |
| SCHEMBL3465286 | 0.78 | — | — | |
| SCHEMBL9325791 | 0.78 | — | — | |
| SCHEMBL25309844 | 0.78 | — | — | |
| SCHEMBL3465616 | 0.78 | — | — | |
| SCHEMBL27916032 | 0.78 | — | — | |
| SCHEMBL3897980 | 0.78 | ALOX5 (0.45) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20070066624-A1 | Chemokine receptor binding compounds | ANORMED, INC. (CA) | 2007-03-22 | — | — | US | disclosed |
| EP-1268431-A1 | 3-CYANOQUINOLINES,3-CYANO-1,6-NAPHTHYRIDINES, AND 3-CYANO-1,7-NAPHTHYRIDINES AS PROTEIN KINASE INHIBITORS | Wyeth (US) | 2003-01-02 | — | — | EP | disclosed |
| WO-2001072711-A1 | 3-CYANOQUINOLINES,3-CYANO-1,6-NAPHTHYRIDINES, AND 3-CYANO-1,7-NAPHTHYRIDINES AS PROTEIN KINASE INHIBITORS | WYETH (US) | 2001-10-04 | — | — | WO | disclosed |
| EP-0161801-A2 | Perhydrothiazepine derivatives, their preparation and their therapeutic use | SANKYO COMPANY LIMITED (JP) | 1985-11-21 | — | — | EP | disclosed |