⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1560841 | 0.79 | — | — | |
| SCHEMBL9563242 | 0.79 | IDO1 (0.41) | — | |
| SCHEMBL7827555 | 0.79 | — | — | |
| SCHEMBL1309635 | 0.75 | — | — | |
| SCHEMBL27757242 | 0.75 | — | — | |
| SCHEMBL1311493 | 0.75 | — | — | |
| SCHEMBL2005698 | 0.70 | — | — | |
| SCHEMBL9563316 | 0.70 | IDO1 (0.52) | — | |
| SCHEMBL6315509 | 0.70 | — | — | |
| SCHEMBL22774824 | 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-106687449-B | A kind of aminosulfonyl base class compound, preparation method and the usage | 苏州旺山旺水生物医药有限公司 | 2019-04-09 | — | — | CN | disclosed |
| CN-102746319-B | A kind of preparation method of thienopyridine ketone compounds | CHANGCHUN INSTITUTE OF APPLIED CHEMISTRY CHINESE ACADEMY OF SCIENCES (CN) | 2015-08-05 | — | — | CN | disclosed |
| CN-101381362-B | Preparation method of thiophen derivate chloromethylation products | UNIV GUANGDONG TECHNOLOGY | 2012-10-31 | — | — | CN | disclosed |
| CN-101381362-A | Preparation method of thiophen derivate chloromethylation products | UNIV GUANGDONG TECHNOLOGY (CN) | 2009-03-11 | — | — | CN | disclosed |