⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7951287 | 0.82 | LMNA (0.38) | — | |
| SCHEMBL7948205 | 0.82 | MELK (0.33) | — | |
| SCHEMBL5000921 | 0.82 | MAPK1 (0.35) | — | |
| SCHEMBL7949475 | 0.81 | MELK (0.34) | — | |
| SCHEMBL7948308 | 0.79 | PTGS2 (0.32) | — | |
| SCHEMBL7947385 | 0.79 | PTGS2 (0.36) | — | |
| SCHEMBL6969239 | 0.78 | — | — | |
| SCHEMBL7949538 | 0.78 | FYN (0.32) | — | |
| SCHEMBL8305894 | 0.77 | LMNA (0.34) | — | |
| SCHEMBL7946227 | 0.76 | PDE4B (0.36) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-6265606-B1 | TO CONTROL A BROAD SPECTRUM OF UNDESIRABLE VEGETATION, ARE SELECTIVE TO MAJOR CROPS, HAVE DESIRABLE ENVIRONMENTAL PROFILES, | DOW AGROSCIENCES LLC | 2001-07-24 | — | — | US | disclosed |
| US-6010981-A | 1-alkyl-4-benzoyl-5-hydroxypyrazole compounds and their use as herbicides | DOW AGROSCIENCES LLC (US) | 2000-01-04 | — | — | US | disclosed |
| EP-0914317-A2 | 1-ALKYL-4-BENZOYL-5-HYDROXYPYRAZOLE COMPOUNDS AND THEIR USE AS HERBICIDES | Dow AgroSciences LLC (US) | 1999-05-12 | — | — | EP | disclosed |
| WO-1998052926-A2 | 1-ALKYL-4-BENZOYL-5-HYDROXYPYRAZOLE COMPOUNDS AND THEIR USE AS HERBICIDES | DOW AGROSCIENCES LLC (US) | 1998-11-26 | — | — | WO | disclosed |