SCHEMBL777030

SCHEMBL777030

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

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.48
CES2 O00748 1/20 0.47
CES1 P23141 1/20 0.47
ALDH1A1 P00352 3/20 0.44
ALOX15 P16050 1/20 0.44
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
TDP1 Q9NUW8 1/20 0.43
NPC1 O15118 6/20 0.42
RAB9A P51151 5/20 0.42
MAPT P10636 1/20 0.42
HPGD P15428 1/20 0.42
SMN1; SMN2 Q16637 5/20 0.41
LMNA P02545 2/20 0.40
KDM4E B2RXH2 1/20 0.39
HDAC3 O15379 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 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
SCHEMBL777031 1.00 GAA (0.48) GAACES2CES1ALDH1A1ALOX15
SCHEMBL779504 0.80 CES2 (0.42) GAACES2CES1ALDH1A1ALOX15
SCHEMBL779505 0.80 CES2 (0.42) GAACES2CES1ALDH1A1ALOX15
SCHEMBL3884832 0.78 HPGD (0.43) ALDH1A1HPGDSMN1; SMN2KDM4E
SCHEMBL777032 0.72 GAA (0.47) GAACES2CES1ALDH1A1ALOX15
SCHEMBL11031403 0.71 TSHR (0.44) CES2CES1ALDH1A1ALOX15MEN1
SCHEMBL11031402 0.71 TSHR (0.44) CES2CES1ALDH1A1ALOX15MEN1
SCHEMBL31666506 0.71 CES2 (0.48) GAACES2CES1ALDH1A1ALOX15
SCHEMBL779506 0.71 MEN1 (0.48) GAACES2CES1ALDH1A1ALOX15
SCHEMBL15163687 0.71 CES2 (0.48) GAACES2CES1ALDH1A1ALOX15

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