SCHEMBL779298

SCHEMBL779298

C=CCC(CP(=O)(O)O)c1ccccc1F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.38
CYP3A4 P08684 2/20 0.38
CES2 O00748 1/20 0.34
CES1 P23141 1/20 0.34
CNR2 P34972 1/20 0.33
LMNA P02545 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
MAPT P10636 2/20 0.33
CYP1A2 P05177 1/20 0.33
THRB P10828 1/20 0.33
PMP22 Q01453 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ALDH1A1 P00352 3/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
PKM P14618 1/20 0.32
HTT P42858 1/20 0.32
ALOX15 P16050 1/20 0.32
TSHR P16473 1/20 0.32
CYP2C9 P11712 1/20 0.31

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
SCHEMBL777837 0.83 CYP2C19 (0.35) CYP2C19CYP3A4CES2CES1CNR2
SCHEMBL779151 0.81 CYP3A4 (0.39) CYP2C19CYP3A4CES2CES1CNR2
SCHEMBL777705 0.78 CYP3A4 (0.39) CYP2C19CYP3A4CES2CES1CNR2
SCHEMBL25954806 0.76 CYP2C19 (0.36) CYP2C19CYP3A4CES2CES1CNR2
SCHEMBL779167 0.75 CYP3A4 (0.44) CYP3A4CES2CES1CNR2CYP1A2
SCHEMBL776251 0.72 CYP3A4 (0.39) CYP3A4CES2CES1CNR2LMNA
SCHEMBL30955355 0.72 CES2 (0.41) CYP2C19CYP3A4CES2CES1CNR2
SCHEMBL20645828 0.72 CES2 (0.41) CYP2C19CYP3A4CES2CES1CNR2
SCHEMBL777640 0.71 SRC (0.46) CYP3A4CNR2GAAACP3
SCHEMBL779297 0.70 DPP4 (0.37) CYP2C19LMNASMN1; 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 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