⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13620738 | 1.00 | — | — | |
| SCHEMBL8152466 | 1.00 | — | — | |
| SCHEMBL8266984 | 0.75 | — | — | |
| SCHEMBL12209614 | 0.75 | — | — | |
| SCHEMBL13356660 | 0.75 | — | — | |
| SCHEMBL10041866 | 0.72 | — | — | |
| SCHEMBL7719942 | 0.72 | — | — | |
| SCHEMBL8144346 | 0.70 | — | — | |
| SCHEMBL22082615 | 0.70 | — | — | |
| SCHEMBL22765521 | 0.70 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-116323566-A | Sulfanone compound and preparation method and medical application thereof | 中国医药研究开发中心有限公司 | 2023-06-23 | — | — | CN | disclosed |
| WO-2009094279-A1 | QUINOLIZIDINONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS | MERCK & CO., INC. (US) | 2009-07-30 | — | — | WO | disclosed |
| WO-2005097768-A2 | NOVEL GAMMA SECRETASE INHIBITORS | SCHERING CORPORATION (US) | 2005-10-20 | — | — | WO | disclosed |
| CN-1261884-A | Benzothiophene derivatives as herbicides | NOVARTIS AG (CH) | 2000-08-02 | — | — | CN | disclosed |