SCHEMBL777564

SCHEMBL777564

O=P(O)(c1ccccc1)c1ccccc1-c1ccccc1F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.42
CA4 P22748 1/20 0.42
CA5A P35218 1/20 0.42
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
CFTR P13569 1/20 0.38
TSHR P16473 2/20 0.36
ALOX15 P16050 1/20 0.36
ALDH1A1 P00352 3/20 0.36
MAPT P10636 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
POLB P06746 2/20 0.36
LMNA P02545 1/20 0.35
MEN1 O00255 4/20 0.35
KMT2A Q03164 4/20 0.35
NPSR1 Q6W5P4 1/20 0.35
HTT P42858 2/20 0.35
ACMSD Q8TDX5 1/20 0.35

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
SCHEMBL4132505 0.85 CA2 (0.48) CA2CA4CA5ACYP1A2CYP3A4
SCHEMBL29822328 0.79 CA2 (0.46) CA2CA4CA5ACYP1A2CYP3A4
SCHEMBL3646058 0.79 CA2 (0.46) CA2CA4CA5ACYP1A2CYP3A4
SCHEMBL28394456 0.79 TOP1 (0.41) CA2CA4CA5ACYP1A2CYP3A4
SCHEMBL28388314 0.79 CA2 (0.42) CA2CA4CA5ACYP1A2CYP3A4
SCHEMBL776970 0.78 MAPT (0.38) ALDH1A1MAPTL3MBTL1MEN1KMT2A
SCHEMBL191567 0.76 CA2 (0.68) CA2CA4CA5ACYP1A2CYP3A4
SCHEMBL779595 0.74 MAPT (0.38) CYP1A2CYP3A4CYP2C9CYP2C19CFTR
SCHEMBL28443040 0.74 ESR1 (0.48) CA2CA4CA5ACYP1A2CYP3A4
SCHEMBL781826 0.74 PGK1 (0.37) CA2ALDH1A1MAPTL3MBTL1MEN1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107082789-B Method for preparing organic phosphate compound by efficiently esterifying P (O) -OH-containing compound and phenol 湖南理工学院 2020-08-28 CN disclosed
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