⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5195552 | 0.65 | AAK1 (0.31) | — | |
| SCHEMBL5642596 | 0.63 | EPHX1 (0.36) | — | |
| SCHEMBL1680254 | 0.62 | — | — | |
| SCHEMBL9138194 | 0.61 | ALDH1A1 (0.35) | — | |
| SCHEMBL4939885 | 0.61 | — | — | |
| SCHEMBL266223 | 0.61 | — | — | |
| SCHEMBL11220035 | 0.61 | — | — | |
| SCHEMBL9141325 | 0.60 | — | — | |
| SCHEMBL263839 | 0.57 | — | — | |
| SCHEMBL298032 | 0.57 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5843966-A | Piperidine derivatives | GLAXO GROUP LIMITED (GB) | 1998-12-01 | — | — | US | disclosed |
| EP-0720609-B1 | 3-(5-TETRAZOLYL-BENZYL)AMINO-PIPERIDINE DERIVATIVES AND ANTAGONISTS OF TACHYKININS | GLAXO GROUP LTD (GB) | 1998-11-11 | — | — | EP | disclosed |
| US-5703240-A | ANALGESICS; ANTIINFLAMMATORY AGENTS; NERVOUS SYSTEM DISORDERS; PSYCHOLOGICAL DISORDERS; GASTROINTESTINAL DISORDERS | GLAXO GROUP LIMITED (GB) | 1997-12-30 | — | — | US | disclosed |