⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8834237 | 0.70 | — | — | |
| SCHEMBL12081635 | 0.68 | KDM4E (0.35) | — | |
| SCHEMBL4207853 | 0.68 | CDC7 (0.50) | — | |
| SCHEMBL22367276 | 0.65 | ALDH1A1 (0.42) | — | |
| SCHEMBL18338385 | 0.64 | CYP1A2 (0.44) | — | |
| SCHEMBL22827889 | 0.64 | — | — | |
| SCHEMBL4429594 | 0.64 | — | — | |
| SCHEMBL20939379 | 0.63 | HRH3 (0.34) | — | |
| SCHEMBL22456771 | 0.61 | CACNA2D1 (0.42) | — | |
| SCHEMBL21585685 | 0.60 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7491821-B2 | 2-(4-fluorophenyl)-4-propyl-oxazole-5-carboxylic acid {2-[4-(6-aminopyridin-2-yl)-piperazin-1-yl]-1-methyl-ethyl}amide; purinergic receptor antagonists, analgesics; urogenital, gastointestinal and respiratory system disorders | ROCHE PALO ALTO LLC (US) | 2009-02-17 | — | — | US | disclosed |
| EP-1917262-A1 | PIPERIDINE AND PIPERAZINE DERIVATIVES AS P2X3 ANTAGONISTS | F.HOFFMANN-LA ROCHE AG (CH) | 2008-05-07 | — | — | EP | disclosed |
| WO-2007020194-A1 | PIPERIDINE AND PIPERAZINE DERIVATIVES AS P2X3 ANTAGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2007-02-22 | — | — | WO | disclosed |
| US-20070037974-A1 | Inhibitors of P2X3 | ROCHE PALO ALTO LLC | 2007-02-15 | — | — | US | disclosed |