⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL28247149 | 0.98 | CYP1A2 (0.32) | — | |
| SCHEMBL11370619 | 0.73 | PSIP1 (0.32) | — | |
| SCHEMBL7665379 | 0.70 | — | — | |
| Amitrole SCHEMBL11745846 | 0.70 | KDM4E (0.32) | — | |
| SCHEMBL9435542 | 0.69 | HTR6 (0.48) | — | |
| SCHEMBL3479000 | 0.67 | ALDH1A1 (0.39) | — | |
| Amitrole SCHEMBL1872800 | 0.67 | CA1 (0.33) | — | |
| SCHEMBL9320892 | 0.66 | RIPK1 (0.35) | — | |
| SCHEMBL4024762 | 0.64 | COMT (0.39) | — | |
| SCHEMBL10780407 | 0.62 | KDM4E (0.32) | — |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-12036208-B2 | Methods for treating neurodegenerative disorders | ALZHEON, INC. (US) | 2024-07-16 | — | — | US | disclosed |
| CN-109970668-B | Method for preparing 3-thio-1, 2, 4-triazole compound | 普济生物科技（台州）有限公司 | 2021-12-07 | — | — | CN | disclosed |
| CN-109970668-B | Method for preparing 3-thio-1, 2, 4-triazole compound | 普济生物科技（台州）有限公司 | 2021-12-07 | — | — | CN | disclosed |
| CN-111886271-A | Aqueous curable compositions comprising dispersed uretdione prepolymers, reactants, and azoles | 科思创有限公司 | 2020-11-03 | — | — | CN | disclosed |
| CN-111868131-A | Uretdione-containing polyurethane dispersions containing hydrophilic groups | 科思创德国股份有限公司 | 2020-10-30 | — | — | CN | disclosed |
| CN-105263913-A | Thio-1,2,4-triazole derivatives and method for preparing the same | SUNSHINE LAKE PHARMA CO LTD | 2016-01-20 | — | — | CN | disclosed |
| CN-104557748-A | Novel solid forms of thio-1, 2, 4-triazole derivatives | GUANGDONG HEC PHARMACEUTICAL | 2015-04-29 | — | — | CN | disclosed |
| CN-104557748-A | Novel solid forms of thio-1, 2, 4-triazole derivatives | GUANGDONG HEC PHARMACEUTICAL | 2015-04-29 | — | — | CN | disclosed |
| US-20100256092-A1 | BORON-CONTAINING SMALL MOLECULES | ANACOR PHARMACEUTICALS, INC. (US) | 2010-10-07 | — | — | US | disclosed |
| US-5211739-A | Herbicidal-1-(disubstituted carbamoyl or thiocarbamoyl)-1,2,4-triazol-3-yl sulfonates and thisulfonates | ROHM AND HAAS COMPANY (US) | 1993-05-18 | — | — | US | disclosed |