⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL31171647 | 0.81 | — | — | |
| SCHEMBL1241251 | 0.81 | — | — | |
| SCHEMBL17790918 | 0.76 | — | — | |
| SCHEMBL20585 | 0.76 | — | — | |
| SCHEMBL6738767 | 0.76 | — | — | |
| SCHEMBL31335469 | 0.76 | CTH (0.37) | — | |
| SCHEMBL17825396 | 0.74 | APLNR (0.43) | — | |
| SCHEMBL17825395 | 0.74 | APLNR (0.43) | — | |
| SCHEMBL17103207 | 0.73 | GBA1 (0.47) | — | |
| SCHEMBL2555511 | 0.71 | ALDH1A1 (0.39) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9416144-B2 | Benzoxazine oxazolidinone compound, preparation method and application thereof | SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) | 2016-08-16 | — | — | US | disclosed |
| US-20150336984-A1 | BENZOXAZINE OXAZOLIDINONE COMPOUND, PREPARATION METHOD AND APPLICATION THEREOF | SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) | 2015-11-26 | — | — | US | disclosed |