SCHEMBL777032

SCHEMBL777032

CC(=CP(=O)(O)O)c1ccccc1F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.47
CES2 O00748 1/20 0.45
CES1 P23141 1/20 0.45
SMN1; SMN2 Q16637 4/20 0.44
ALDH1A1 P00352 4/20 0.42
ALOX15 P16050 1/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
NPC1 O15118 7/20 0.41
RAB9A P51151 6/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
KDM4E B2RXH2 2/20 0.39
TP53 P04637 1/20 0.39
GLA P06280 1/20 0.39
HSD17B10 Q99714 1/20 0.39
LMNA P02545 2/20 0.39
HDAC3 O15379 1/20 0.37
HDAC1 Q13547 1/20 0.37

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
SCHEMBL779506 0.81 MEN1 (0.48) GAACES2CES1SMN1; SMN2ALDH1A1
SCHEMBL3884833 0.79 SMN1; SMN2 (0.42) SMN1; SMN2ALOX15NPC1RAB9AHPGD
SCHEMBL781239 0.77 GAA (0.43) GAACES2CES1SMN1; SMN2ALDH1A1
SCHEMBL6920215 0.76 CES2 (0.50) GAACES2CES1SMN1; SMN2ALDH1A1
SCHEMBL28370184 0.76 CES2 (0.50) GAACES2CES1SMN1; SMN2ALDH1A1
SCHEMBL4787890 0.76 CES2 (0.50) GAACES2CES1SMN1; SMN2ALDH1A1
SCHEMBL15705122 0.73 CES2 (0.48) GAACES2CES1SMN1; SMN2ALDH1A1
SCHEMBL17607029 0.72 CES2 (0.46) GAACES2CES1SMN1; SMN2ALDH1A1
SCHEMBL6048060 0.72 MEN1 (0.43) CES2CES1SMN1; SMN2ALDH1A1ALOX15
SCHEMBL16795665 0.72 ALDH1A1 (0.48) GAACES2CES1SMN1; SMN2ALDH1A1

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