⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7214559 | 0.77 | — | — | |
| SCHEMBL3191542 | 0.74 | ALDH1A1 (0.41) | — | |
| SCHEMBL8881277 | 0.71 | KDM4E (0.44) | — | |
| SCHEMBL8328047 | 0.71 | EGFR (0.40) | — | |
| SCHEMBL9177964 | 0.70 | GRM4 (0.41) | — | |
| SCHEMBL8025930 | 0.69 | — | — | |
| SCHEMBL8800106 | 0.68 | HTT (0.45) | — | |
| SCHEMBL7214565 | 0.67 | PIK3CG (0.31) | — | |
| SCHEMBL9180110 | 0.63 | ADRA2A (0.36) | — | |
| SCHEMBL12094183 | 0.62 | DYRK1A (0.39) | — |
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-0789698-A1 | N-(1-ETHYL-4-PYRAZOLYL)TRIAZOLOAZINESULFONAMIDE HERBICIDES | DOWELANCO (US) | 1997-08-20 | — | — | EP | disclosed |
| WO-1997008172-A1 | N-(1-ETHYL-4-PYRAZOLYL)TRIAZOLOAZINESULFONAMIDE HERBICIDES | DOWELANCO (US) | 1997-03-06 | — | — | WO | disclosed |