⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8693411 | 0.88 | GRM4 (0.31) | — | |
| SCHEMBL8690776 | 0.87 | MAT2A (0.31) | — | |
| SCHEMBL8333964 | 0.83 | GLP1R (0.31) | — | |
| SCHEMBL8691513 | 0.83 | MAT2A (0.32) | — | |
| SCHEMBL8335529 | 0.82 | — | — | |
| SCHEMBL8689094 | 0.82 | ALDH1A1 (0.41) | — | |
| SCHEMBL8554419 | 0.80 | — | — | |
| SCHEMBL8554640 | 0.80 | BCAT1 (0.41) | — | |
| SCHEMBL8693088 | 0.79 | MAT2A (0.30) | — | |
| SCHEMBL8691583 | 0.78 | GRM4 (0.31) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0862569-A1 | SUBSTITUTED BENZOTHIAZOLS WITH HERBICIDAL ACTION | BASF AKTIENGESELLSCHAFT (DE) | 1998-09-09 | — | — | EP | disclosed |
| WO-1997008171-A1 | SUBSTITUTED BENZOTHIAZOLS WITH HERBICIDAL ACTION | BASF AKTIENGESELLSCHAFT (DE) | 1997-03-06 | — | — | WO | disclosed |