SCHEMBL3402435

SCHEMBL3402435

Cn1cc(OC(=O)O)c(C(F)C(F)(F)F)n1

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.34
PLA2G7 Q13093 2/20 0.31
MGLL Q99685 2/20 0.31
ABHD6 Q9BV23 2/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

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.

Compoundsimilaritytop predictedshared targets
SCHEMBL1136291 0.84 GAA (0.31) GAA
SCHEMBL3399047 0.82 PDE10A (0.31) GAA
SCHEMBL3258070 0.78 PDE10A (0.32)
SCHEMBL5274768 0.77 GAA (0.42) GAAPLA2G7MGLLABHD6
SCHEMBL1866000 0.77 GAA (0.36) GAAPLA2G7MGLLABHD6
SCHEMBL2903445 0.76 GAA (0.41) GAAPLA2G7MGLLABHD6
SCHEMBL1406152 0.75 GAA (0.49) GAA
SCHEMBL3400003 0.74
SCHEMBL1864010 0.73 GAA (0.42) GAA
SCHEMBL27753360 0.72 CYP4F2 (0.34) GAA

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2057126-B1 PROCESS FOR PREPARING 3-DIHALOMETHYLPYRAZOLE-4-CARBOXYLIC ACID DERIVATIVES BAYER CROPSCIENCE AG (DE) 2010-11-10 EP disclosed