⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10414005 | 0.69 | CYP2C9 (0.30) | — | |
| SCHEMBL4256247 | 0.69 | CYP2C9 (0.30) | — | |
| SCHEMBL10581145 | 0.67 | — | — | |
| SCHEMBL10583338 | 0.66 | — | — | |
| SCHEMBL10991940 | 0.62 | ALDH1A1 (0.34) | — | |
| SCHEMBL23367708 | 0.57 | — | — | |
| SCHEMBL20259738 | 0.57 | — | — | |
| SCHEMBL27326659 | 0.52 | — | — | |
| Perchlorate SCHEMBL10416525 | 0.51 | — | — | |
| SCHEMBL11418901 | 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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5650411-A | BACTERICIDES FOR HELICOBACTER DISEASES AND BACTERIA RESISTANCE | JANSSEN PHARMACEUTICA N.V. (BE) | 1997-07-22 | — | — | US | disclosed |
| EP-0684821-A1 | SUBSTITUTED AZOLONE DERIVATIVES FOR TREATING DISEASES CAUSED BY HELICOBACTER | JANSSEN PHARMACEUTICA N.V. (BE) | 1995-12-06 | — | — | EP | disclosed |
| WO-1994018978-A1 | SUBSTITUTED AZOLONE DERIVATIVES FOR TREATING DISEASES CAUSED BY HELICOBACTER | JANSSEN PHARMACEUTICA N.V. (BE) | 1994-09-01 | — | — | WO | disclosed |