⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9004531 | 0.84 | — | — | |
| SCHEMBL25392308 | 0.78 | — | — | |
| SCHEMBL12881245 | 0.78 | KDM4E (0.31) | — | |
| SCHEMBL15026757 | 0.75 | FBP1 (0.37) | — | |
| SCHEMBL23921712 | 0.70 | CYP2C19 (0.35) | — | |
| SCHEMBL25227054 | 0.70 | — | — | |
| SCHEMBL27276358 | 0.68 | — | — | |
| SCHEMBL24426851 | 0.68 | — | — | |
| SCHEMBL23921752 | 0.67 | — | — | |
| SCHEMBL12327215 | 0.67 | FBP1 (0.40) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106810543-A | It is a kind of（The base of thiazole 5）The preparation method of benzo [d] oxazole | 湖南华腾制药有限公司 | 2017-06-09 | — | — | CN | disclosed |