⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10709417 | 0.79 | — | — | |
| SCHEMBL743650 | 0.74 | — | — | |
| Fluoride SCHEMBL10657502 | 0.70 | — | — | |
| SCHEMBL17268373 | 0.70 | — | — | |
| SCHEMBL24374493 | 0.67 | — | — | |
| SCHEMBL8760390 | 0.67 | — | — | |
| SCHEMBL8394798 | 0.64 | — | — | |
| SCHEMBL31552455 | 0.56 | — | — | |
| SCHEMBL14826037 | 0.56 | — | — | |
| SCHEMBL1321648 | 0.55 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2014120397-A1 | PREPARATION OF ALKYL 3-DIFLUOROMETHYL-1-METHYL-1H-PYRAZOLE-4-CARBOXYLIC ACID ESTER | KINGCHEM, LLC (US) | 2014-08-07 | — | — | WO | disclosed |
| US-20140221669-A1 | PREPARATION OF ALKYL 3-DIFLUOROMETHYL-1-METHYL-1H-PYRAZOLE-4-CARBOXYLIC ACID ESTER | KingChem LLC | 2014-08-07 | — | — | US | disclosed |
| US-20140221669-A1 | PREPARATION OF ALKYL 3-DIFLUOROMETHYL-1-METHYL-1H-PYRAZOLE-4-CARBOXYLIC ACID ESTER | KingChem LLC | 2014-08-07 | — | — | US | disclosed |