⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7260805 | 0.75 | LMNA (0.34) | — | |
| SCHEMBL17771238 | 0.73 | — | — | |
| SCHEMBL27495376 | 0.71 | — | — | |
| SCHEMBL28279446 | 0.71 | — | — | |
| SCHEMBL548609 | 0.71 | — | — | |
| SCHEMBL2906953 | 0.71 | — | — | |
| SCHEMBL27332692 | 0.71 | — | — | |
| SCHEMBL16296076 | 0.71 | — | — | |
| SCHEMBL27893063 | 0.67 | ALDH1A1 (0.33) | — | |
| SCHEMBL2397517 | 0.66 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101568533-A | 3-heteroaryl (amino or amido)-1- (biphenyl or phenylthiazolyl) carbonylpiperdine derivatives as orexin receptor inhibitors | ACTELION PHARMACEUTICALS LTD (CH) | 2009-10-28 | — | — | CN | disclosed |
| CN-101506199-A | Azetidine compounds as orexin receptor antagonists | ACTELION PHARMACEUTICALS LTD (CH) | 2009-08-12 | — | — | CN | disclosed |
| US-5384412-A | 4-trihydrocarbylsiloxy-6-methyltetrahydropyran derivatives; anticarcinogenic agents | THE SCRIPPS RESEARCH INSTITUTE (US) | 1995-01-24 | — | — | US | disclosed |
| EP-0530225-A4 | INTERMEDIATES IN THE FORMATION OF THE CALICHEAMICIN AND ESPERAMICIN OLIGOSACCHARIDES | — | 1993-09-22 | — | — | EP | disclosed |
| EP-0530225-A1 | INTERMEDIATES IN THE FORMATION OF THE CALICHEAMICIN AND ESPERAMICIN OLIGOSACCHARIDES | THE SCRIPPS RESEARCH INSTITUTE (US) | 1993-03-10 | — | — | EP | disclosed |
| WO-1991017158-A1 | INTERMEDIATES IN THE FORMATION OF THE CALICHEAMICIN AND ESPERAMICIN OLIGOSACCHARIDES | SCRIPPS CLINIC AND RESEARCH FOUNDATION (US) | 1991-11-14 | — | — | WO | disclosed |