⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7810857 | 0.90 | — | — | |
| SCHEMBL7811746 | 0.88 | FPR2 (0.30) | — | |
| SCHEMBL7807414 | 0.81 | PTGS2 (0.32) | — | |
| SCHEMBL7802356 | 0.81 | CYP1A2 (0.34) | — | |
| SCHEMBL8508143 | 0.80 | POLB (0.30) | — | |
| SCHEMBL7809075 | 0.80 | GNRHR (0.34) | — | |
| SCHEMBL27274639 | 0.79 | MCL1 (0.36) | — | |
| SCHEMBL8508216 | 0.78 | — | — | |
| SCHEMBL7811578 | 0.78 | FPR2 (0.31) | — | |
| SCHEMBL7811558 | 0.78 | KMT2A (0.30) | — |
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-1077972-A1 | 1-ALKYL-4-[(3-OXETANYL-)BENZOYL]-5-HYDROXYPYRAZOLE COMPOUNDS AND THEIR USE AS HERBICIDES | Dow AgroSciences LLC (US) | 2001-02-28 | — | — | EP | disclosed |
| WO-2000017194-A1 | 1-ALKYL-4-[(3-OXETANYL-)BENZOYL]-5-HYDROXYPYRAZOLE COMPOUNDS AND THEIR USE AS HERBICIDES | DOW AGROSCIENCES LLC (US) | 2000-03-30 | — | — | WO | disclosed |