⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22613583 | 0.69 | — | — | |
| SCHEMBL21676505 | 0.69 | — | — | |
| SCHEMBL27604455 | 0.58 | — | — | |
| SCHEMBL21500439 | 0.54 | — | — | |
| Sulfuric Acid SCHEMBL29787211 | 0.44 | CA5A (0.67) | — | |
| Benzoquinone SCHEMBL27730092 | 0.42 | TDP1 (0.61) | — | |
| Benzoquinone SCHEMBL27939443 | 0.42 | TDP1 (0.61) | — | |
| Benzoquinone SCHEMBL4943047 | 0.42 | TDP1 (0.61) | — | |
| Sulfuric Acid SCHEMBL1074566 | 0.40 | CA5A (0.75) | — | |
| Sulfuric Acid SCHEMBL2832655 | 0.40 | — | — |
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 |