SCHEMBL776251

SCHEMBL776251

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.39
CES2 O00748 1/20 0.39
CES1 P23141 1/20 0.39
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36
ACP3 P15309 3/20 0.35
GAA P10253 1/20 0.35
SRC P12931 1/20 0.34
CNR2 P34972 1/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
HDAC4 P56524 2/20 0.33
ALDH1A1 P00352 3/20 0.33
MAPT P10636 2/20 0.33
NPC1 O15118 1/20 0.33
HPGD P15428 1/20 0.33
LMNA P02545 1/20 0.32
CYP2C9 P11712 1/20 0.32
IDO1 P14902 1/20 0.32
TDO2 P48775 1/20 0.32

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
SCHEMBL5563720 0.80 PTPN2 (0.45) CYP3A4ALOX15TSHRACP3GAA
SCHEMBL777705 0.78 CYP3A4 (0.39) CYP3A4CES2CES1ALOX15TSHR
SCHEMBL778849 0.75 ACP3 (0.47) CYP3A4CES2CES1ACP3GAA
SCHEMBL779151 0.75 CYP3A4 (0.39) CYP3A4CES2CES1ALOX15TSHR
SCHEMBL778564 0.73 CYP3A4 (0.36) CYP3A4CES2CES1CNR2MEN1
SCHEMBL966720 0.73 SRC (0.54) ALOX15TSHRACP3SRC
SCHEMBL18526933 0.73 PGK1 (0.50) CYP3A4CES2CES1ACP3GAA
SCHEMBL1792854 0.72 ACP3 (0.42) ACP3GAAMEN1KMT2AALDH1A1
SCHEMBL779298 0.72 CYP2C19 (0.38) CYP3A4CES2CES1ALOX15TSHR
SCHEMBL28407063 0.71 CES2 (0.44) CYP3A4CES2CES1GAACNR2

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