⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2354097 | 0.77 | KMT2A (0.34) | — | |
| SCHEMBL6603663 | 0.71 | HPGD (0.38) | — | |
| SCHEMBL1427291 | 0.71 | ACHE (0.35) | — | |
| SCHEMBL2356296 | 0.69 | ALDH1A1 (0.33) | — | |
| SCHEMBL28394743 | 0.67 | ACHE (0.35) | — | |
| SCHEMBL29219229 | 0.65 | — | — | |
| SCHEMBL508861 | 0.63 | NPC1 (0.44) | — | |
| SCHEMBL7244739 | 0.62 | GAA (0.44) | — | |
| SCHEMBL21877327 | 0.60 | MTOR (0.32) | — | |
| SCHEMBL561256 | 0.59 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1072601-B1 | 4-arylpiperidine derivatives for the treatment of pruritus | PFIZER (US) | 2004-09-08 | — | — | EP | disclosed |
| US-6750231-B2 | SKIN DISORDERS; GASTROINTESTINAL DISORDERS | PFIZER INC | 2004-06-15 | — | — | US | disclosed |
| US-20030004340-A1 | New 4-arylpiperidine derivatives for the treatment of pruritus | GIBSON STEPHEN PAUL (GB) | 2003-01-02 | — | — | US | disclosed |
| EP-1072601-A2 | 4-arylpiperidine derivatives for the treatment of pruritus | PFIZER INC. (US) | 2001-01-31 | — | — | EP | disclosed |