⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4761787 | 0.92 | — | — | |
| SCHEMBL4792234 | 0.88 | — | — | |
| SCHEMBL4763128 | 0.88 | P2RX3 (0.41) | — | |
| SCHEMBL4762442 | 0.87 | — | — | |
| SCHEMBL4764049 | 0.76 | LMNA (0.42) | — | |
| SCHEMBL4792083 | 0.72 | — | — | |
| SCHEMBL4489532 | 0.72 | SMN1; SMN2 (0.46) | — | |
| SCHEMBL4760984 | 0.69 | P2RX3 (0.61) | — | |
| SCHEMBL9998326 | 0.67 | KDM4E (0.48) | — | |
| SCHEMBL4722179 | 0.67 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| 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 |