SCHEMBL779941

SCHEMBL779941

O=P(O)(CCCCCC(F)(F)F)c1ccccc1F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.34
POLB P06746 1/20 0.34
PTK2B Q14289 1/20 0.34
CFTR P13569 1/20 0.33
MMP2 P08253 1/20 0.33
MMP9 P14780 1/20 0.33
MMP8 P22894 1/20 0.33
MMP13 P45452 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
TSHR P16473 1/20 0.33
PTPN1 P18031 2/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
ALPG P10696 1/20 0.33
ALOX12 P18054 1/20 0.33
NPY1R P25929 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
SCHEMBL777511 0.94 CFTR (0.35) NPC1POLBPTK2BCFTRCYP1A2
SCHEMBL779468 0.87 CFTR (0.37) NPC1CFTRCYP1A2CYP3A4CYP2C9
SCHEMBL4132144 0.77 PTPN1 (0.38) NPC1POLBPTK2BCFTRCYP1A2
SCHEMBL24540305 0.68 LPAR3 (0.50) CYP3A4
SCHEMBL21102328 0.68 LPAR3 (0.50) CYP3A4
SCHEMBL24540205 0.68 LPAR3 (0.50) CYP3A4
SCHEMBL779586 0.67 TSHR (0.43) TSHRALDH1A1MAPTCETP
SCHEMBL3889145 0.66 CA2 (0.44) NPC1POLBPTK2BCYP1A2CYP3A4
SCHEMBL778910 0.66 CYP1A2 (0.33) CYP1A2CYP3A4CYP2C9CYP2C19PTPN1
SCHEMBL779907 0.66 TAAR1 (0.33) TSHRPTPN1ALDH1A1HTTPGK1

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