SCHEMBL779531

SCHEMBL779531

O=P(O)(O)c1cccc(-c2ccccc2F)c1-c1ccccc1F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.36
CA1 P00915 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
MAPT P10636 3/20 0.36
ALDH1A1 P00352 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
PTK2B Q14289 3/20 0.35
NPC1 O15118 2/20 0.35
POLB P06746 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
RAB9A P51151 1/20 0.34
CA4 P22748 1/20 0.33
CA5A P35218 1/20 0.33
PDK2 Q15119 1/20 0.33
ALPG P10696 1/20 0.33
ESRRG P62508 1/20 0.33
DHODH Q02127 1/20 0.33

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
SCHEMBL776685 0.85 MYC (0.40) CA2CA1CA7CA9MAPT
SCHEMBL779654 0.83 MAPT (0.34) CA2CA1CA7CA9MAPT
SCHEMBL10791672 0.83 PTK2B (0.40) CA2MAPTALDH1A1PTK2BNPC1
SCHEMBL3883389 0.78 ALDH1A1 (0.36) MAPTALDH1A1L3MBTL1NPC1MEN1
SCHEMBL3889145 0.76 CA2 (0.44) CA2ALDH1A1PTK2BNPC1POLB
SCHEMBL3403564 0.74 PTK2B (0.42) CA2ALDH1A1PTK2BNPC1POLB
SCHEMBL776970 0.74 MAPT (0.38) CA9MAPTALDH1A1L3MBTL1NPC1
SCHEMBL781826 0.74 PGK1 (0.37) CA2CA1CA7CA9MAPT
SCHEMBL3893677 0.73 ELANE (0.35) CA9MAPTALDH1A1L3MBTL1NPC1
SCHEMBL30210989 0.72 CES2 (0.45) CA2CA9MAPTALDH1A1PTK2B

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