SCHEMBL777581

SCHEMBL777581

O=P(O)(O)CC(c1ccc(F)cc1)c1ccccc1F

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.40
CYP3A4 P08684 1/20 0.38
ACP3 P15309 6/20 0.38
SRC P12931 1/20 0.38
GAA P10253 1/20 0.38
PDPK1 O15530 1/20 0.37
CNR2 P34972 2/20 0.37
CA12 O43570 1/20 0.37
MMP2 P08253 1/20 0.37
MME P08473 1/20 0.36
ECE1 P42892 1/20 0.36

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
SCHEMBL777640 0.92 SRC (0.46) CYP3A4ACP3SRCGAAPDPK1
SCHEMBL779167 0.87 CYP3A4 (0.44) CYP3A4ACP3SRCGAACNR2
SCHEMBL779192 0.83 CA12 (0.46) ALDH1A1ACP3SRCCA12MMP2
SCHEMBL781362 0.82 CYP19A1 (0.42) ALDH1A1CYP3A4ACP3GAAPDPK1
SCHEMBL776850 0.79 ACP3 (0.51) ALDH1A1CYP3A4ACP3SRCGAA
SCHEMBL29791196 0.75 TBXA2R (0.42) ALDH1A1GAACNR2
SCHEMBL30758302 0.75 TBXA2R (0.42) ALDH1A1GAACNR2
Ammonia Solution, Strong SCHEMBL6001428 0.75 HTT (0.40) ALDH1A1CYP3A4GAA
SCHEMBL27506211 0.75 IDO1 (0.40) ALDH1A1GAACNR2
SCHEMBL15577608 0.74 IDO1 (0.40) ALDH1A1CYP3A4GAACNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9608291-B2 Non-aqueous liquid electrolyte and non-aqueous liquid electrolyte secondary battery MITSUBISHI CHEMICAL CORPORATION (JP) 2017-03-28 US disclosed
US-9343777-B2 Non-aqueous liquid electrolyte and non-aqueous liquid electrolyte secondary battery MITSUBISHI CHEMICAL CORPORATION (JP) 2016-05-17 US disclosed
US-9252457-B2 Non-aqueous liquid electrolyte and non-aqueous liquid electrolyte secondary battery MITSUBISHI CHEMICAL CORPORATION (JP) 2016-02-02 US disclosed
US-20150188192-A1 NON-AQUEOUS LIQUID ELECTROLYTE AND NON-AQUEOUS LIQUID ELECTROLYTE SECONDARY BATTERY MITSUBISHI CHEMICAL CORPORATION (JP) 2015-07-02 US disclosed
US-20120177988-A1 NON-AQUEOUS LIQUID ELECTROLYTE AND NON-AQUEOUS LIQUID ELECTROLYTE SECONDARY BATTERY MITSUBISHI CHEMICAL CORPORATION (JP) 2012-07-12 US disclosed
US-20120070731-A1 NON-AQUEOUS LIQUID ELECTROLYTE AND NON-AQUEOUS LIQUID ELECTROLYTE SECONDARY BATTERY MITSUBISHI CHEMICAL CORPORATION (JP) 2012-03-22 US disclosed
US-20090325065-A1 NON-AQUEOUS LIQUID ELECTROLYTE AND NON-AQUEOUS LIQUID ELECTROLYTE SECONDARY BATTERY MITSUBISHI CHEMICAL CORPORATION (JP) 2009-12-31 US disclosed