⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL68418 | 0.82 | TSHR (0.32) | — | |
| SCHEMBL14626528 | 0.73 | — | — | |
| SCHEMBL68010 | 0.72 | PEPD (0.32) | — | |
| SCHEMBL18204615 | 0.63 | APLNR (0.37) | — | |
| SCHEMBL18210478 | 0.63 | APLNR (0.37) | — | |
| SCHEMBL18204616 | 0.63 | APLNR (0.37) | — | |
| SCHEMBL19301357 | 0.62 | CYP2C9 (0.33) | — | |
| SCHEMBL19301370 | 0.62 | CYP2C9 (0.33) | — | |
| SCHEMBL19301337 | 0.62 | CYP2C9 (0.33) | — | |
| SCHEMBL576828 | 0.62 | — | — |
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-1091958-A1 | SALTS OF PAROXETINE | SMITHKLINE BEECHAM PLC (GB) | 2001-04-18 | — | — | EP | disclosed |
| WO-2000001692-A1 | SALTS OF PAROXETINE | SMITHKLINE BEECHAM PLC (GB) | 2000-01-13 | — | — | WO | disclosed |