⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7857374 | 0.81 | — | — | |
| SCHEMBL31296290 | 0.81 | — | — | |
| SCHEMBL288304 | 0.73 | — | — | |
| SCHEMBL23201727 | 0.71 | — | — | |
| SCHEMBL8969898 | 0.71 | — | — | |
| SCHEMBL1096560 | 0.69 | — | — | |
| SCHEMBL21026371 | 0.69 | — | — | |
| SCHEMBL31296277 | 0.67 | — | — | |
| SCHEMBL22499934 | 0.67 | — | — | |
| SCHEMBL28732200 | 0.67 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-10711011-B2 | Substituted oxazolidines as anti-bacterial agents | Bugworks Research, Inc. (US) | 2020-07-14 | — | — | US | disclosed |
| CN-109843888-A | 6, 7, 8, 9-tetrahydro-3H-pyrazolo [4, 3-f ] isoquinoline derivatives useful for the treatment of cancer | 阿斯利康(瑞典)有限公司 | 2019-06-04 | — | — | CN | disclosed |
| CN-106061967-B | The nicotinamide compounds replaced through heteroaryl | 百时美施贵宝公司 | 2019-04-19 | — | — | CN | disclosed |