⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6767099 | 1.00 | — | — | |
| SCHEMBL258961 | 0.76 | — | — | |
| SCHEMBL244944 | 0.76 | — | — | |
| SCHEMBL244945 | 0.76 | — | — | |
| Hydrochloric Acid SCHEMBL10538997 | 0.72 | — | — | |
| SCHEMBL23749582 | 0.69 | TSHR (0.31) | — | |
| SCHEMBL9723868 | 0.69 | — | — | |
| SCHEMBL9223364 | 0.69 | TSHR (0.31) | — | |
| SCHEMBL9723870 | 0.69 | — | — | |
| SCHEMBL27877420 | 0.67 | — | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6706663-B2 | CHEMICAL INTERMEDIATES | WYETH | 2004-03-16 | — | — | US | disclosed |
| EP-1274708-A1 | HERBICIDAL 3-HETEROCYCLIC SUBSTITUTED BENZISOTHIAZOLE AND BENZISOXAZOLE COMPOUNDS | BASF AKTIENGESELLSCHAFT (DE) | 2003-01-15 | — | — | EP | disclosed |
| US-20020137929-A1 | 1 - (3-heterocyclylphenyl) isothiourea, -isourea, -guanidine and -amidine herbicidal agents | INTELLECTUAL PROPERTY DEPARTMENT, BASF AKTIENGESELLSCHAFT (DE) | 2002-09-26 | — | — | US | disclosed |
| US-20020028748-A1 | Herbicidal 3 -heterocyclic substituted benzisothiazole and benzisoxazole compounds | INTELLECTUAL PROPERTY DEPARTMENT BASF AKTIENGESELLSCHAFT (DE) | 2002-03-07 | — | — | US | disclosed |
| WO-2001079203-A1 | HERBICIDAL 3-HETEROCYCLIC SUBSTITUTED BENZISOTHIAZOLE AND BENZISOXAZOLE COMPOUNDS | BASF AKTIENGESELLSCHAFT (DE) | 2001-10-25 | — | — | WO | disclosed |
| US-6303783-B1 | 1- (3-Heterocyclylphenyl) isothiourea, -isourea, -guanidine and -amidine herbicidal agents | AMERICAN CYANAMID CO. | 2001-10-16 | — | — | US | disclosed |
| EP-0985670-A1 | 1-(3-Heterocyclylphenyl)isothiourea, -isourea, -guanidine and -amidine compounds as herbicides | American Cyanamid Company (US) | 2000-03-15 | — | — | EP | disclosed |