⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4474261 | 0.80 | KCNK3 (0.33) | — | |
| SCHEMBL17529635 | 0.74 | GPR3 (0.33) | — | |
| SCHEMBL3137883 | 0.72 | AKR1C2 (0.30) | — | |
| SCHEMBL455229 | 0.72 | — | — | |
| SCHEMBL5537587 | 0.69 | GPR3 (0.34) | — | |
| SCHEMBL17529643 | 0.68 | EPHX2 (0.39) | — | |
| SCHEMBL457664 | 0.67 | — | — | |
| SCHEMBL7477173 | 0.67 | PGK1 (0.37) | — | |
| SCHEMBL3033116 | 0.65 | — | — | |
| SCHEMBL900639 | 0.65 | GPR3 (0.33) | — |
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-6245779-B1 | ANALGESICS; ANTIINFLAMMATORY AGENTS | OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) | 2001-06-12 | — | — | US | disclosed |
| EP-0997463-A1 | NAPHTHYRIDINE DERIVATIVES | OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) | 2000-05-03 | — | — | EP | disclosed |