⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1549774 | 0.71 | — | — | |
| SCHEMBL23976644 | 0.67 | — | — | |
| SCHEMBL25432325 | 0.64 | — | — | |
| SCHEMBL20859396 | 0.62 | — | — | |
| SCHEMBL17896907 | 0.62 | — | — | |
| SCHEMBL3276308 | 0.62 | — | — | |
| SCHEMBL10528736 | 0.62 | — | — | |
| SCHEMBL23060224 | 0.61 | — | — | |
| SCHEMBL12796574 | 0.57 | — | — | |
| SCHEMBL224442 | 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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101316846-A | Novel azetidine compounds useful in the treatment of functional gastrointestinal disorders, IBS and functional dyspepsia | ASTRAZENECA AB (SE) | 2008-12-03 | — | — | CN | claimed |
| CN-101573357-B | Indole compound | TAKAEDA CHEMICAL IND LTD | 2013-01-23 | — | — | CN | disclosed |
| CN-101573357-A | Indole compound | TAKEDA PHARMACEUTICAL (JP) | 2009-11-04 | — | — | CN | disclosed |
| CN-101316846-A | Novel azetidine compounds useful in the treatment of functional gastrointestinal disorders, IBS and functional dyspepsia | ASTRAZENECA AB (SE) | 2008-12-03 | — | — | CN | disclosed |
| US-5707988-A | Benzo d! isoxazole derivatives, compositions containing them and their use in therapy | BRITISH TECHNOLOGY GROUP LTD. (GB) | 1998-01-13 | — | — | US | disclosed |
| EP-0675890-B1 | CONDENSED BENZO(D)ISOXAZOLE DERIVATIVES AND THEIR USE AS PSYCHOACTIVE AGENTS | BRITISH TECH GROUP (GB) | 1997-04-09 | — | — | EP | disclosed |