⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4684903 | 0.93 | HRH3 (0.39) | — | |
| SCHEMBL8860933 | 0.91 | HRH3 (0.38) | — | |
| SCHEMBL27879161 | 0.91 | CYP2D6 (0.46) | — | |
| SCHEMBL28102358 | 0.90 | CYP2D6 (0.44) | — | |
| SCHEMBL6196925 | 0.87 | HRH3 (0.45) | — | |
| SCHEMBL447294 | 0.86 | — | — | |
| SCHEMBL2090140 | 0.85 | HRH3 (0.44) | — | |
| SCHEMBL27895901 | 0.84 | CYP2D6 (0.43) | — | |
| SCHEMBL27895920 | 0.84 | CYP2D6 (0.43) | — | |
| SCHEMBL27895897 | 0.82 | HRH3 (0.42) | — |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-104387430-B | Barrenwort glycosides compounds and its application | 广东东阳光药业有限公司 | 2017-03-15 | — | — | CN | disclosed |
| CN-104387430-A | Icariin compounds and application thereof | GUANGDONG HEC PHARMACEUTICAL | 2015-03-04 | — | — | CN | disclosed |
| US-8895565-B2 | Heterocyclic compound and use of the same | NISHIO TETSUYA (JP) | 2014-11-25 | — | — | US | disclosed |
| US-20110319618-A1 | HETEROCYCLIC COMPOUND AND USE OF THE SAME | NISHIO TETSUYA (JP) | 2011-12-29 | — | — | US | disclosed |
| US-20060089355-A1 | Methods of treating alzheimer's disease using aromatically substituted w-amino-alkanoic acid amides and alkanoic acid diamides | ELAN PHARMACEUTICALS, INC. | 2006-04-27 | — | — | US | disclosed |
| EP-0716077-A1 | Aromatically substituted omega amino alcanoic acid amides and alcanoic diamides and their use as renine inhibitors | CIBA-GEIGY AG (CH) | 1996-06-12 | — | — | EP | disclosed |
| EP-0215435-B1 | 2-OXA-ISOCEPHEM COMPOUNDS, COMPOSITIONS CONTAINING SAME AND PROCESSES FOR PREPARING SAME | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 1993-03-03 | — | — | EP | disclosed |
| US-4831026-A | ANTIBIOTICS | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 1989-05-16 | — | — | US | disclosed |
| EP-0215435-A1 | 2-Oxa-isocephem compounds, compositions containing same and processes for preparing same | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 1987-03-25 | — | — | EP | disclosed |