⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21889169 | 0.71 | — | — | |
| SCHEMBL20899905 | 0.69 | — | — | |
| SCHEMBL8225739 | 0.68 | ADORA2A (0.35) | — | |
| SCHEMBL21149329 | 0.67 | — | — | |
| SCHEMBL20816370 | 0.67 | TSHR (0.33) | — | |
| SCHEMBL20816387 | 0.67 | TSHR (0.33) | — | |
| SCHEMBL20816372 | 0.66 | TSHR (0.33) | — | |
| SCHEMBL14602891 | 0.64 | ADORA2A (0.33) | — | |
| SCHEMBL14641244 | 0.63 | ADORA2A (0.37) | — | |
| SCHEMBL20816394 | 0.62 | HCAR3 (0.39) | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1061041-C | Piperidine derivatives | GLAXO GROUP LTD (GB) | 2001-01-24 | — | — | CN | disclosed |
| 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 |
| CN-1135218-A | Piperidine derivatives | GLAXO GROUP LTD (GB) | 1996-11-06 | — | — | CN | disclosed |
| EP-0720609-A1 | 3-(5-TETRAZOLYL-BENZYL)AMINO-PIPERIDINE DERIVATIVES AND ANTAGONISTS OF TACHYKININS | GLAXO GROUP LIMITED (GB) | 1996-07-10 | — | — | EP | disclosed |
| WO-1995008549-A1 | 3-(5-TETRAZOLYL-BENZYL)AMINO-PIPERIDINE DERIVATIVES AND ANTAGONISTS OF TACHYKININS | GLAXO GROUP LIMITED (GB) | 1995-03-30 | — | — | WO | disclosed |