⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6771008 | 0.89 | — | — | |
| SCHEMBL6777585 | 0.88 | — | — | |
| SCHEMBL6772693 | 0.88 | MAPT (0.32) | — | |
| SCHEMBL6766878 | 0.87 | PTGS2 (0.35) | — | |
| SCHEMBL6772825 | 0.84 | BRD9 (0.34) | — | |
| SCHEMBL6772344 | 0.82 | — | — | |
| SCHEMBL6771342 | 0.81 | ALDH1A1 (0.31) | — | |
| SCHEMBL6771155 | 0.81 | ADORA1 (0.31) | — | |
| SCHEMBL6983311 | 0.81 | PPARG (0.31) | — | |
| SCHEMBL6777575 | 0.80 | — | — |
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 8 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 | claimed |
| EP-1274708-A1 | HERBICIDAL 3-HETEROCYCLIC SUBSTITUTED BENZISOTHIAZOLE AND BENZISOXAZOLE COMPOUNDS | BASF AKTIENGESELLSCHAFT (DE) | 2003-01-15 | — | — | EP | claimed |
| US-20020028748-A1 | Herbicidal 3 -heterocyclic substituted benzisothiazole and benzisoxazole compounds | INTELLECTUAL PROPERTY DEPARTMENT BASF AKTIENGESELLSCHAFT (DE) | 2002-03-07 | — | — | US | claimed |
| WO-2001079203-A1 | HERBICIDAL 3-HETEROCYCLIC SUBSTITUTED BENZISOTHIAZOLE AND BENZISOXAZOLE COMPOUNDS | BASF AKTIENGESELLSCHAFT (DE) | 2001-10-25 | — | — | WO | claimed |
| 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-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 |