SCHEMBL777511

SCHEMBL777511

O=P(O)(CCCC(F)(F)F)c1ccccc1F

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CFTR P13569 1/20 0.35
PTPN1 P18031 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
PTPN2 P17706 1/20 0.33
PTPN6 P29350 1/20 0.33
PTPN11 Q06124 1/20 0.33
NPC1 O15118 1/20 0.33
POLB P06746 1/20 0.33
PTK2B Q14289 1/20 0.33
PGK1 P00558 3/20 0.33
PGK2 P07205 3/20 0.33
FDPS P14324 1/20 0.32
PTPN5 P54829 1/20 0.31
TSHR P16473 1/20 0.31

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
SCHEMBL779941 0.94 NPC1 (0.34) CFTRPTPN1CYP1A2CYP3A4CYP2C9
SCHEMBL779468 0.90 CFTR (0.37) CFTRPTPN1CYP1A2CYP3A4CYP2C9
SCHEMBL4132144 0.80 PTPN1 (0.38) CFTRPTPN1CYP1A2CYP3A4CYP2C9
SCHEMBL779586 0.69 TSHR (0.43) TSHR
SCHEMBL3889145 0.68 CA2 (0.44) PTPN1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL779907 0.68 TAAR1 (0.33) PTPN1PGK1PGK2TSHR
SCHEMBL778910 0.68 CYP1A2 (0.33) PTPN1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL779202 0.68 HTT (0.40) CYP1A2CYP3A4CYP2C9CYP2C19FDPS
SCHEMBL29468571 0.68 HTT (0.40) CYP1A2CYP3A4CYP2C9CYP2C19FDPS
SCHEMBL777623 0.68 TSHR (0.43) PTPN5TSHR

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