⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29838649 | 0.76 | — | — | |
| SCHEMBL349079 | 0.75 | — | — | |
| SCHEMBL921501 | 0.73 | GSR (0.46) | — | |
| SCHEMBL2385519 | 0.73 | GSR (0.46) | — | |
| Ammonia Solution, Strong SCHEMBL23067550 | 0.71 | GSR (0.45) | — | |
| Ammonia Solution, Strong SCHEMBL2349657 | 0.71 | GSR (0.45) | — | |
| Hydrochloric Acid SCHEMBL9712259 | 0.71 | GGT1 (0.45) | — | |
| SCHEMBL8422592 | 0.67 | — | — | |
| SCHEMBL5082326 | 0.67 | — | — | |
| SCHEMBL384211 | 0.67 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0784431-A1 | SYNERGISTIC ACTIVE SUBSTANCE HERBICIDE COMBINATIONS WITH 1-(2,6-DICHLORO-4-DIFLUOROMETHYL-PHENYL)-5-(2-CHLOROPROPIONAMIDO)-4-NITROPYRAZOL | BAYER AG (DE) | 1997-07-23 | — | — | EP | claimed |
| WO-1996010333-A1 | SYNERGISTIC ACTIVE SUBSTANCE HERBICIDE COMBINATIONS WITH 1-(2,6-DICHLORO-4-DIFLUOROMETHYL-PHENYL)-5-(2-CHLOROPROPIONAMIDO)-4-NITROPYRAZOL | BAYER AKTIENGESELLSCHAFT (DE) | 1996-04-11 | — | — | WO | claimed |
| EP-0113857-A1 | Herbicidal agents | BAYER AG (DE) | 1984-07-25 | — | — | EP | claimed |
| WO-2003000058-A1 | SELECTIVE HERBICIDES BASED ON PYRIMIDINE DERIVATIVES | BAYER CROPSCIENCE AG (DE) | 2003-01-03 | — | — | WO | disclosed |