⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1394412 | 0.84 | — | — | |
| SCHEMBL342676 | 0.78 | — | — | |
| SCHEMBL31303847 | 0.78 | EPHX1 (0.53) | — | |
| Ammonia Solution, Strong SCHEMBL2286653 | 0.76 | — | — | |
| SCHEMBL4423465 | 0.74 | — | — | |
| Alcohol SCHEMBL3149030 | 0.73 | — | — | |
| SCHEMBL26117100 | 0.73 | — | — | |
| SCHEMBL1930892 | 0.73 | — | — | |
| SCHEMBL17427 | 0.73 | — | — | |
| SCHEMBL870141 | 0.72 | EPHX1 (0.53) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2590969-B1 | Therapeutic agents 976 | ASTRAZENECA AB (SE) | 2014-10-15 | — | — | EP | disclosed |
| US-8546375-B2 | (3-(4-(aminomethyl)phenoxy or phenylthio)azetidin-1-yl)(5-phenyl-1,3,4-oxadiazol-2-yl)methanone compounds | ASTRAZENECA AB (SE) | 2013-10-01 | — | — | US | disclosed |
| EP-2590969-A2 | THERAPEUTIC AGENTS 976 | AstraZeneca AB (SE) | 2013-05-15 | — | — | EP | disclosed |
| WO-2012004588-A2 | THERAPEUTIC AGENTS 976 | ASTRAZENECA AB (SE) | 2012-01-12 | — | — | WO | disclosed |
| US-20120010189-A1 | (3-(4-(AMINOMETHYL)PHENOXY OR PHENYLTHIO)AZETIDIN-1-YL)(5-PHENYL-1,3,4-OXADIAZOL-2-YL)METHANONE COMPOUNDS | ASTRAZENECA AB (SE) | 2012-01-12 | — | — | US | disclosed |