⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2341653 | 0.74 | — | — | |
| SCHEMBL2341649 | 0.69 | AR (0.42) | — | |
| SCHEMBL2335241 | 0.69 | PTGS2 (0.36) | — | |
| SCHEMBL8979369 | 0.61 | AR (0.45) | — | |
| SCHEMBL3343457 | 0.61 | AR (0.45) | — | |
| SCHEMBL10433729 | 0.61 | SLC6A2 (0.30) | — | |
| SCHEMBL10374446 | 0.61 | SLC6A2 (0.30) | — | |
| SCHEMBL2330720 | 0.61 | AR (0.45) | — | |
| SCHEMBL9601583 | 0.61 | AR (0.35) | — | |
| SCHEMBL10433970 | 0.61 | AR (0.35) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1211254-B1 | Process for the preparation of benzoxazine derivatives and intermediates therefor | DAIICHI SANKYO CO LTD (JP) | 2014-05-07 | — | — | EP | disclosed |
| EP-2360160-B1 | Intermediates and their use for producing benzoxazine derivative | DAIICHI SANKYO CO LTD (JP) | 2013-07-24 | — | — | EP | disclosed |
| EP-2360160-A1 | Intermediates and their use for producing benzoxazine derivative | DAIICHI SANKYO COMPANY, LIMITED (JP) | 2011-08-24 | — | — | EP | disclosed |
| EP-2284174-A1 | INTERMEDIATES FOR THE PREPARATION OF BENZOXAZINE DERIVATIVES AND PROCESS FOR THEIR PREPARATION | Daiichi Sankyo Company, Limited (JP) | 2011-02-16 | — | — | EP | disclosed |
| EP-2218722-A2 | Process for producing benzoxazine derivative and production intermediate thereof | Daiichi Sankyo Company, Limited (JP) | 2010-08-18 | — | — | EP | disclosed |
| US-6872823-B1 | Process for producing benzoxazine derivative and production intermediate thereof | DAIICHI PHARMACEUTICAL CO., LTD. (JP) | 2005-03-29 | — | — | US | disclosed |