SCHEMBL778333

SCHEMBL778333

Cc1cccc(P(=O)(O)O)c1CC(F)(F)F

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PGK1 P00558 5/20 0.36
PGK2 P07205 5/20 0.36
PTK2B Q14289 3/20 0.33
NPC1 O15118 2/20 0.33
POLB P06746 2/20 0.33
PTPN5 P54829 3/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
ALDH1A1 P00352 1/20 0.33
RAB9A P51151 1/20 0.33
FDPS P14324 1/20 0.33
P2RX1 P51575 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
ACP3 P15309 1/20 0.32
ALPG P10696 1/20 0.32
PTPN1 P18031 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
SCHEMBL3884619 0.85 CYP1A2 (0.36) PGK1PGK2CYP1A2CYP2D6FDPS
SCHEMBL779660 0.81 PGK1 (0.37) PGK1PGK2PTK2BNPC1POLB
SCHEMBL18261808 0.79 PTK2B (0.37) PGK1PGK2PTK2BNPC1POLB
SCHEMBL779384 0.79 CYP1A2 (0.35) PGK1PGK2CYP1A2CYP2D6
SCHEMBL18261828 0.76 CXCR5 (0.40) PTK2BNPC1POLBALDH1A1RAB9A
SCHEMBL18261835 0.75 CXCR5 (0.38) PTK2BNPC1POLBALDH1A1RAB9A
SCHEMBL18261821 0.73 ENPP2 (0.42) PTK2BNPC1POLBALDH1A1
SCHEMBL12197600 0.72 ALDH1A1 (0.38) PTK2BNPC1POLBCYP1A2ALDH1A1
SCHEMBL24105728 0.71 ACHE (0.44) CYP1A2ALDH1A1
SCHEMBL125243 0.70 ATM (0.44) PTK2BNPC1POLBCYP1A2CYP2D6

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