⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13628761 | 0.77 | CYP2A6 (0.40) | — | |
| SCHEMBL13628755 | 0.70 | — | — | |
| SCHEMBL8746195 | 0.68 | PDE10A (0.49) | — | |
| SCHEMBL21137222 | 0.68 | HPGDS (0.35) | — | |
| SCHEMBL13628708 | 0.68 | — | — | |
| SCHEMBL1501900 | 0.66 | PDE10A (0.64) | — | |
| SCHEMBL13628705 | 0.64 | NOTUM (0.30) | — | |
| SCHEMBL15586819 | 0.64 | SSTR3 (0.46) | — | |
| SCHEMBL27550011 | 0.64 | PDE10A (0.51) | — | |
| SCHEMBL17215027 | 0.64 | PDE10A (0.49) | — |
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-7612070-B2 | Heterocyclic compounds as antiinflammatory agents and cyclooxygenase inhibitors | CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) | 2009-11-03 | — | — | US | disclosed |
| US-7612070-B2 | Heterocyclic compounds as antiinflammatory agents and cyclooxygenase inhibitors | CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) | 2009-11-03 | — | — | US | disclosed |