⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6588897 | 0.90 | GABRG2 (0.31) | — | |
| SCHEMBL7077590 | 0.75 | — | — | |
| SCHEMBL6591154 | 0.74 | TRPV3 (0.34) | — | |
| SCHEMBL6591084 | 0.70 | TRPV3 (0.32) | — | |
| SCHEMBL6593265 | 0.69 | — | — | |
| SCHEMBL6590303 | 0.66 | GABRG2 (0.31) | — | |
| SCHEMBL6589871 | 0.65 | GABRG2 (0.42) | — | |
| SCHEMBL6591222 | 0.64 | — | — | |
| SCHEMBL6590950 | 0.61 | — | — | |
| SCHEMBL28288962 | 0.60 | L3MBTL1 (0.50) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1358180-A2 | NAPHTHOSTYRIL DERIVATIVES AND THEIR USE AS INHIBITORS OF CYCLIN-DEPENDENT KINASES | F. Hoffmann-La Roche AG (CH) | 2003-11-05 | — | — | EP | disclosed |
| WO-2002059109-A2 | NAPHTHOSTYRIL DERIVATIVES AND THEIR USE AS INHIBITORS OF CYCLIN- DEPENDENT KINASES | F. HOFFMANN-LA ROCHE AG (CH) | 2002-08-01 | — | — | WO | disclosed |