SCHEMBL777640

SCHEMBL777640

O=P(O)(O)CC(c1ccccc1)c1ccccc1F

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SRC P12931 1/20 0.46
ACP3 P15309 9/20 0.44
GAA P10253 1/20 0.44
IDO1 P14902 1/20 0.41
TDO2 P48775 1/20 0.41
CYP3A4 P08684 1/20 0.41
PDPK1 O15530 1/20 0.40
CYP19A1 P11511 1/20 0.40
CNR2 P34972 1/20 0.40

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
SCHEMBL777581 0.92 ALDH1A1 (0.40) SRCACP3GAACYP3A4PDPK1
SCHEMBL779167 0.91 CYP3A4 (0.44) SRCACP3GAACYP3A4CNR2
SCHEMBL875769 0.81 SRC (0.60) SRCACP3
SCHEMBL777071 0.81 CYP19A1 (0.48) SRCACP3GAAIDO1TDO2
SCHEMBL3884599 0.79 ACP3 (0.65) SRCACP3CYP3A4CYP19A1
SCHEMBL777888 0.79 ACP3 (0.64) SRCACP3GAAIDO1TDO2
SCHEMBL28028854 0.76 IDO1 (0.47) GAAIDO1TDO2CYP3A4CYP19A1
SCHEMBL776692 0.75 ALDH1A1 (0.41) CYP3A4CYP19A1CNR2
SCHEMBL781362 0.74 CYP19A1 (0.42) ACP3GAACYP3A4PDPK1CYP19A1
SCHEMBL23159325 0.74 HRH1 (0.50) GAAIDO1TDO2CYP3A4CYP19A1

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