SCHEMBL28682199

SCHEMBL28682199

CCC(F)(F)C(F)(OP(=O)(O)O)C(F)(F)F

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SMPD1 P17405 3/20 0.36
LPAR3 Q9UBY5 4/20 0.32
LPAR1 Q92633 3/20 0.32
LPAR2 Q9HBW0 2/20 0.32

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
SCHEMBL27592565 0.79 TDP1 (0.35) SMPD1
SCHEMBL28677652 0.79
SCHEMBL5963992 0.77 SMPD1 (0.37) SMPD1LPAR3LPAR1LPAR2
SCHEMBL575200 0.74 SMPD1 (0.38) SMPD1LPAR3LPAR1LPAR2
SCHEMBL28699165 0.73 SMPD1 (0.32) SMPD1
SCHEMBL5963871 0.71 SMPD1 (0.41) SMPD1LPAR3LPAR1
SCHEMBL17710377 0.70 THRB (0.34)
SCHEMBL7025439 0.70 THRB (0.34)
SCHEMBL6415833 0.70 SMPD1 (0.38) SMPD1LPAR3LPAR1LPAR2
SCHEMBL5963470 0.69 SMPD1 (0.40) SMPD1LPAR3LPAR1LPAR2

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
CN-107849070-B Phosphate diester salt, method for producing same, nonaqueous electrolyte solution for electricity storage device, and electricity storage device 斯泰拉化工公司 2021-08-06 CN disclosed