⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25406079 | 0.71 | — | — | |
| SCHEMBL25405955 | 0.68 | — | — | |
| SCHEMBL462176 | 0.48 | CYP2A6 (0.31) | — | |
| SCHEMBL29421734 | 0.46 | ACHE (0.56) | — | |
| SCHEMBL3075063 | 0.46 | ACHE (0.56) | — | |
| SCHEMBL4821346 | 0.46 | — | — | |
| SCHEMBL24673413 | 0.46 | MEN1 (0.38) | — | |
| SCHEMBL15220201 | 0.45 | CDC25B (0.36) | — | |
| Benzoic Acid SCHEMBL8536274 | 0.45 | TSHR (0.78) | — | |
| Aniline SCHEMBL28749363 | 0.45 | TSHR (0.73) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-117500793-A | Synthesis method and application of benzothiselenazol-1-one compound and derivative thereof | 广州医科大学 | 2024-02-02 | — | — | CN | disclosed |
| WO-2023169082-A1 | SYNTHESIS METHOD AND APPLICATION OF BENZOTHIADIAZOLE-1-KETONE COMPOUND AND DERIVATIVE THEREOF | 广州医科大学 | 2023-09-14 | — | — | WO | disclosed |
| CN-115677621-A | Synthesis method of benzothioselenazole-1-ketone compound and enantiomer thereof | 广州医科大学 | 2023-02-03 | — | — | CN | disclosed |