SCHEMBL779468

SCHEMBL779468

O=P(O)(CCC(F)(F)F)c1ccccc1F

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CFTR P13569 1/20 0.37
PTPN1 P18031 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
PGK1 P00558 5/20 0.34
PGK2 P07205 5/20 0.34
FDPS P14324 1/20 0.33
ACP3 P15309 1/20 0.33
PTPN5 P54829 1/20 0.33
ALDH1A1 P00352 2/20 0.32
NPC1 O15118 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 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
SCHEMBL777511 0.90 CFTR (0.35) CFTRPTPN1CYP1A2CYP3A4CYP2C9
SCHEMBL779941 0.87 NPC1 (0.34) CFTRPTPN1CYP1A2CYP3A4CYP2C9
SCHEMBL4132144 0.82 PTPN1 (0.38) CFTRPTPN1CYP1A2CYP3A4CYP2C9
SCHEMBL781335 0.77 CFTR (0.67) CFTRPTPN1CYP1A2CYP3A4CYP2C9
SCHEMBL3889145 0.71 CA2 (0.44) PTPN1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL779907 0.71 TAAR1 (0.33) PTPN1PGK1PGK2ALDH1A1HPGD
SCHEMBL778910 0.71 CYP1A2 (0.33) PTPN1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL29468571 0.70 HTT (0.40) CYP1A2CYP3A4CYP2C9CYP2C19FDPS
SCHEMBL779202 0.70 HTT (0.40) CYP1A2CYP3A4CYP2C9CYP2C19FDPS
SCHEMBL781245 0.70 PGK1 (0.35) PTPN1CYP1A2CYP3A4CYP2C9CYP2C19

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