SCHEMBL779506

SCHEMBL779506

O=P(O)(O)C=C(c1ccccc1F)c1ccccc1F

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
TDP1 Q9NUW8 1/20 0.48
CES2 O00748 2/20 0.48
CES1 P23141 2/20 0.48
GAA P10253 3/20 0.46
ALDH1A1 P00352 2/20 0.45
ALOX15 P16050 1/20 0.45
LMNA P02545 2/20 0.44
NPC1 O15118 5/20 0.44
RAB9A P51151 3/20 0.44
HPGD P15428 2/20 0.43
MAPT P10636 2/20 0.43
SMN1; SMN2 Q16637 4/20 0.42
HTT P42858 1/20 0.42
TP53 P04637 1/20 0.40
PKM P14618 1/20 0.40
PTPN1 P18031 1/20 0.38
ERCC5 P28715 1/20 0.38
FEN1 P39748 1/20 0.38

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
SCHEMBL777032 0.81 GAA (0.47) MEN1KMT2ATDP1CES2CES1
SCHEMBL778139 0.76 CES2 (0.44) MEN1KMT2ATDP1CES2CES1
SCHEMBL28839597 0.72 CES2 (0.52) MEN1KMT2ATDP1CES2CES1
SCHEMBL9519961 0.71 CES2 (0.52) MEN1KMT2ATDP1CES2CES1
SCHEMBL777030 0.71 GAA (0.48) MEN1KMT2ATDP1CES2CES1
SCHEMBL777031 0.71 GAA (0.48) MEN1KMT2ATDP1CES2CES1
SCHEMBL2089749 0.70 CES2 (0.50) MEN1KMT2ATDP1CES2CES1
SCHEMBL9493553 0.70 ALDH1A1 (0.52) MEN1KMT2ATDP1CES2CES1
SCHEMBL6048046 0.70 CA2 (0.42) MEN1KMT2ATDP1CES2CES1
SCHEMBL5685217 0.69 CES2 (0.45) MEN1KMT2ATDP1CES2CES1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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