⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6738940 | 0.73 | TSHR (0.38) | — | |
| SCHEMBL6741167 | 0.72 | GAA (0.32) | — | |
| SCHEMBL6736121 | 0.72 | KMT2A (0.36) | — | |
| SCHEMBL6738983 | 0.72 | — | — | |
| SCHEMBL6986419 | 0.69 | KMT2A (0.38) | — | |
| SCHEMBL6738206 | 0.66 | — | — | |
| SCHEMBL6740575 | 0.65 | ALDH1A1 (0.42) | — | |
| SCHEMBL8780508 | 0.62 | CYP3A4 (0.50) | — | |
| SCHEMBL11440207 | 0.61 | CYP3A4 (0.43) | — | |
| SCHEMBL19643160 | 0.61 | FFAR4 (0.43) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20040023807-A1 | 3-Arylisothiazoles and their use as herbicides | BASF AKTIENGESELLSCHAFT (DE) | 2004-02-05 | — | — | US | disclosed |
| EP-1289970-A1 | 3-ARYLISOTHIAZOLES AND THEIR USE AS HERBICIDES | BASF AKTIENGESELLSCHAFT (DE) | 2003-03-12 | — | — | EP | disclosed |
| WO-2001087863-A1 | 3-ARYLISOTHIAZOLES AND THEIR USE AS HERBICIDES | BASF AKTIENGESELLSCHAFT (DE) | 2001-11-22 | — | — | WO | disclosed |