⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18920776 | 0.76 | — | — | |
| SCHEMBL92800 | 0.76 | — | — | |
| SCHEMBL92801 | 0.76 | — | — | |
| SCHEMBL6966145 | 0.73 | — | — | |
| SCHEMBL11915793 | 0.69 | — | — | |
| SCHEMBL9833275 | 0.68 | — | — | |
| SCHEMBL5040091 | 0.64 | — | — | |
| SCHEMBL8932432 | 0.64 | — | — | |
| SCHEMBL14827916 | 0.64 | — | — | |
| SCHEMBL14749823 | 0.64 | — | — |
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-0790248-B1 | 3-Aza-piperidone- (tetrahydropyrimidin-2-one) and 3-oxa-piperidone (1,3 oxazin-2-one) derivatives, their preparation and their use as tachykinin/neurokinin antagonists | PFIZER LTD (GB) | 2003-05-28 | — | — | EP | disclosed |
| US-5846965-A | 3-aza and 3-oxa piperidone tachykinin antagonists | PFIZER INC. (US) | 1998-12-08 | — | — | US | disclosed |
| EP-0790248-A1 | 3-Aza-piperidone- (tetrahydropyrimidin-2-one) and 3-oxa-piperidone (1,3 oxazin-2-one) derivatives, their preparation and their use as tachykinin/neurokinin antagonists | Pfizer Limited (GB) | 1997-08-20 | — | — | EP | disclosed |