⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7141262 | 0.90 | KDM4E (0.31) | — | |
| SCHEMBL8345435 | 0.87 | — | — | |
| SCHEMBL8345599 | 0.86 | ALDH1A1 (0.32) | — | |
| SCHEMBL7135299 | 0.84 | — | — | |
| SCHEMBL8340623 | 0.81 | — | — | |
| SCHEMBL8341823 | 0.78 | ATM (0.37) | — | |
| SCHEMBL8340912 | 0.78 | MAPT (0.33) | — | |
| SCHEMBL8345319 | 0.76 | ALDH1A1 (0.39) | — | |
| SCHEMBL6767797 | 0.74 | — | — | |
| SCHEMBL8526373 | 0.73 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1274708-A1 | HERBICIDAL 3-HETEROCYCLIC SUBSTITUTED BENZISOTHIAZOLE AND BENZISOXAZOLE COMPOUNDS | BASF AKTIENGESELLSCHAFT (DE) | 2003-01-15 | — | — | EP | disclosed |
| WO-2001079203-A1 | HERBICIDAL 3-HETEROCYCLIC SUBSTITUTED BENZISOTHIAZOLE AND BENZISOXAZOLE COMPOUNDS | BASF AKTIENGESELLSCHAFT (DE) | 2001-10-25 | — | — | WO | disclosed |
| WO-1999014216-A1 | SUBSTITUTED 3(-1,2-BENZISOTHIAZOL OR ISOXAZOL-5 YL)-SUBSTITUTED PYRIMIDINE AS HERBICIDES | AMERICAN CYANAMID COMPANY (US) | 1999-03-25 | — | — | WO | disclosed |