⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4763412 | 0.93 | PLK1 (0.51) | — | |
| SCHEMBL4763159 | 0.77 | TRPV4 (0.62) | — | |
| SCHEMBL4265600 | 0.71 | PLK1 (0.58) | — | |
| SCHEMBL9998699 | 0.71 | — | — | |
| SCHEMBL5322150 | 0.70 | KDM4E (0.38) | — | |
| SCHEMBL4791983 | 0.68 | ALDH1A1 (0.54) | — | |
| SCHEMBL4273223 | 0.68 | DGAT1 (0.54) | — | |
| SCHEMBL4792650 | 0.68 | — | — | |
| SCHEMBL4762914 | 0.67 | DRD2 (0.54) | — | |
| SCHEMBL4763378 | 0.67 | KDM4E (0.54) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1917262-B1 | PIPERIDINE AND PIPERAZINE DERIVATIVES AS P2X3 ANTAGONISTS | HOFFMANN LA ROCHE (CH) | 2011-12-14 | — | — | EP | 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 |