⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8009418 | 0.72 | — | — | |
| SCHEMBL8027623 | 0.72 | — | — | |
| SCHEMBL28453808 | 0.72 | — | — | |
| SCHEMBL11825137 | 0.69 | — | — | |
| SCHEMBL1767206 | 0.67 | — | — | |
| SCHEMBL6740966 | 0.67 | — | — | |
| SCHEMBL8962740 | 0.65 | — | — | |
| SCHEMBL1766462 | 0.64 | — | — | |
| SCHEMBL8855728 | 0.61 | PKM (0.32) | — | |
| SCHEMBL26779 | 0.61 | — | — |
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 19 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1189891-A1 | TRIAZOLE COMPOUNDS AND COMBINATORIAL LIBRARIES THEREOF | LION Bioscience AG (DE) | 2002-03-27 | — | — | EP | claimed |
| US-6362342-B1 | BIOSYNTHESIS; DRUG LIBRARIES | LION BIOSCIENCE AG (DE) | 2002-03-26 | — | — | US | claimed |
| WO-2001000594-A1 | TRIAZOLE COMPOUNDS AND COMBINATORIAL LIBRARIES THEREOF | LION BIOSCIENCE AG (DE) | 2001-01-04 | — | — | WO | claimed |
| CN-112625035-B | 5-chlorobenzoxazole derivative or salt acceptable as pesticide, composition and application thereof | 海利尔药业集团股份有限公司 | 2024-04-12 | — | — | CN | disclosed |
| CN-116143784-A | Acyl substituted triazol-1-yl ethanol derivative or salt acceptable as pesticide, composition and application thereof | 海利尔药业集团股份有限公司 | 2023-05-23 | — | — | CN | disclosed |
| CN-114685486-A | [1,2,4] triazol-1-yl ethanol derivative or salt acceptable as pesticide, composition and application thereof | 海利尔药业集团股份有限公司 | 2022-07-01 | — | — | CN | disclosed |
| CN-113651819-A | Pyrazole carboxylic acid structural compound, salt or ester thereof and preparation method thereof | 海利尔药业集团股份有限公司 | 2021-11-16 | — | — | CN | disclosed |
| CN-112625035-A | 5-chlorobenzoxazole derivative or salt thereof acceptable as pesticide, composition and application thereof | 海利尔药业集团股份有限公司 | 2021-04-09 | — | — | CN | disclosed |
| EP-1189891-A1 | TRIAZOLE COMPOUNDS AND COMBINATORIAL LIBRARIES THEREOF | LION Bioscience AG (DE) | 2002-03-27 | — | — | EP | disclosed |
| US-6362342-B1 | BIOSYNTHESIS; DRUG LIBRARIES | LION BIOSCIENCE AG (DE) | 2002-03-26 | — | — | US | disclosed |
| WO-2001000594-A1 | TRIAZOLE COMPOUNDS AND COMBINATORIAL LIBRARIES THEREOF | LION BIOSCIENCE AG (DE) | 2001-01-04 | — | — | WO | disclosed |
| US-6083879-A | Herbicidal benzoylisothiazoles | BASF AKTIENGESELLSCHAFT (DE) | 2000-07-04 | — | — | US | disclosed |
| US-6046137-A | FOR CONTROLLING WEEDS | BASF AKTIENGESELLSCHAFT (DE) | 2000-04-04 | — | — | US | disclosed |
| US-5945381-A | Herbicidal heterocyclically annulated benzoylisothiazoles | BASF AKTIENGESELLSCHAFT (DE) | 1999-08-31 | — | — | US | disclosed |
| EP-0898570-A1 | HERBICIDAL HETEROCYCLICALLY SUBSTITUTED BENZOYLISOTHIAZOLES | BASF AKTIENGESELLSCHAFT (DE) | 1999-03-03 | — | — | EP | disclosed |
| EP-0897384-A1 | HERBICIDAL BENZOYLISOTHIAZOLES | BASF AKTIENGESELLSCHAFT (DE) | 1999-02-24 | — | — | EP | disclosed |
| WO-1997038996-A1 | HERBICIDAL HETEROCYCLICALLY SUBSTITUTED BENZOYLISOTHIAZOLES | BASF AKTIENGESELLSCHAFT (DE) | 1997-10-23 | — | — | WO | disclosed |
| WO-1997038987-A1 | HERBICIDAL BENZOYLISOTHIAZOLES | BASF AKTIENGESELLSCHAFT (DE) | 1997-10-23 | — | — | WO | disclosed |
| US-3974163-A | VULCANIZATION INHIBITOR | MONSANTO COMPANY (US) | 1976-08-10 | — | — | US | disclosed |