⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL793958 | 0.89 | — | — | |
| SCHEMBL4653065 | 0.83 | CYP1A2 (0.37) | — | |
| SCHEMBL1207445 | 0.81 | CYP1A2 (0.36) | — | |
| SCHEMBL4653020 | 0.81 | SIGMAR1 (0.33) | — | |
| SCHEMBL4969653 | 0.81 | CYP1A2 (0.41) | — | |
| SCHEMBL10579784 | 0.81 | CYP1A2 (0.41) | — | |
| SCHEMBL4654282 | 0.81 | CYP1A2 (0.41) | — | |
| SCHEMBL8080518 | 0.79 | CYP1A2 (0.39) | — | |
| SCHEMBL9385736 | 0.73 | CYP1A2 (0.34) | — | |
| SCHEMBL7269279 | 0.72 | SIGMAR1 (0.35) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-116761510-A | Use of [ (1, 5-diphenyl-1H-pyrazol-3-yl) oxy ] acetic acid derivatives and salts thereof and compositions containing them for reducing the phytotoxic effect of agrochemicals, in particular herbicides, on useful plants and crops | 拜耳公司 | 2023-09-15 | — | — | CN | claimed |
| EP-1986598-A1 | UV FILTER CAPSULES COMPRISING AN AMINOSUBSTITUTED HYDROXYBENZOPHENONE | Merck Patent GmbH (DE) | 2008-11-05 | — | — | EP | disclosed |
| WO-2007093252-A1 | UV FILTER CAPSULES COMPRISING AN AMINOSUBSTITUTED HYDROXYBENZOPHENONE | MERCK PATENT GMBH (DE) | 2007-08-23 | — | — | WO | disclosed |