SCHEMBL30278656

SCHEMBL30278656

CCCCCCCC(C)(F)F

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 1/20 0.54
LPAR3 Q9UBY5 1/20 0.54
CES2 O00748 3/20 0.48
TSHR P16473 1/20 0.47
THRB P10828 1/20 0.47
FAAH O00519 7/20 0.41
CES1 P23141 5/20 0.41
GGPS1 O95749 4/20 0.41
MEN1 O00255 1/20 0.41
CYP1A2 P05177 1/20 0.41
KMT2A Q03164 1/20 0.41
HSD17B10 Q99714 1/20 0.41
FDPS P14324 6/20 0.39

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
SCHEMBL27319691 1.00 LPAR1 (0.54) LPAR1LPAR3CES2TSHRTHRB
SCHEMBL12290440 1.00 LPAR1 (0.54) LPAR1LPAR3CES2TSHRTHRB
SCHEMBL1936480 1.00 LPAR1 (0.54) LPAR1LPAR3CES2TSHRTHRB
SCHEMBL24761094 1.00 LPAR1 (0.54) LPAR1LPAR3CES2TSHRTHRB
SCHEMBL11545308 1.00 LPAR1 (0.54) LPAR1LPAR3CES2TSHRTHRB
SCHEMBL23381380 1.00 LPAR1 (0.54) LPAR1LPAR3CES2TSHRTHRB
SCHEMBL24761193 1.00 LPAR1 (0.54) LPAR1LPAR3CES2TSHRTHRB
SCHEMBL23034428 1.00 LPAR1 (0.54) LPAR1LPAR3CES2TSHRTHRB
SCHEMBL15424555 0.97
SCHEMBL804671 0.88

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-3560910-B1 METHOD FOR MANUFACTURING DIFLUOROMETHYLENE COMPOUND DAIKIN IND LTD (JP) 2023-03-29 EP disclosed