⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1276677 | 0.84 | HTT (0.56) | — | |
| SCHEMBL10488543 | 0.79 | GAA (0.34) | — | |
| SCHEMBL1961205 | 0.77 | — | — | |
| SCHEMBL1965523 | 0.76 | ALDH1A1 (0.52) | — | |
| SCHEMBL11504017 | 0.75 | HTT (0.53) | — | |
| SCHEMBL11598205 | 0.75 | ALDH1A1 (0.65) | — | |
| SCHEMBL11174825 | 0.75 | SMN1; SMN2 (0.43) | — | |
| SCHEMBL1746604 | 0.74 | — | — | |
| SCHEMBL15148285 | 0.73 | HTT (0.47) | — | |
| SCHEMBL10429287 | 0.72 | EPHX1 (0.36) | — |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114105844-A | Novel laccase inhibitor thiosemicarbazone compound and preparation method and application thereof | 中国农业大学 | 2022-03-01 | — | — | CN | disclosed |
| WO-2011035900-A1 | NEW THIADIAZOLE DERIVATIVES | ALMIRALL, S.A. (ES) | 2011-03-31 | — | — | WO | disclosed |
| WO-2011035900-A1 | NEW THIADIAZOLE DERIVATIVES | ALMIRALL, S.A. (ES) | 2011-03-31 | — | — | WO | disclosed |
| US-4492793-A | Process for the production of 2-amino-5-mercapto-1,3,4-thiadiazole | DEGUSSA AKTIENGESELLSCHAFT (DE) | 1985-01-08 | — | — | US | disclosed |
| US-4424363-A | HERBICIDES | BASF AKTIENGESELLSCHAFT (DE) | 1984-01-03 | — | — | US | disclosed |
| US-4354031-A | HERBICIDES | BASF ATIENGESELLSCHAFT (DE) | 1982-10-12 | — | — | US | disclosed |
| US-4316039-A | HERBICIDES | BASF AKTIENGESELLSCHAFT (DE) | 1982-02-16 | — | — | US | disclosed |
| EP-0002180-B1 | SUBSTITUTED 3-AMINOPYRAZOLES, HERBICIDES CONTAINING THEM AND METHOD FOR CONTROLLING UNDESIRABLE GROWTH OF PLANTS | BASF Aktiengesellschaft (DE) | 1981-08-12 | — | — | EP | disclosed |
| US-4260775-A | Substituted 3-aminopyrazoles | BASF AKTIENGESELLSCHAFT (DE) | 1981-04-07 | — | — | US | disclosed |
| US-4252962-A | Process for producing 2-amino or selected 2-(substituted)amino-5-mercapto-1,3,4-thiadiazole compounds | OLIN CORPORATION (US) | 1981-02-24 | — | — | US | disclosed |
| EP-0002180-A1 | Substituted 3-aminopyrazoles, herbicides containing them and method for controlling undesirable growth of plants | BASF Aktiengesellschaft (DE) | 1979-06-13 | — | — | EP | disclosed |