SCHEMBL778598

SCHEMBL778598

O=P(O)(CC(F)(F)F)c1ccccc1C1CCCCC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN5 P54829 4/20 0.44
PTPN2 P17706 1/20 0.44
PTGDR2 Q9Y5Y4 3/20 0.40
PTGS2 P35354 1/20 0.36
RBP4 P02753 2/20 0.33
GAA P10253 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
LMNA P02545 1/20 0.32
NAAA Q02083 1/20 0.32
HTR2C P28335 1/20 0.32
SCN9A Q15858 1/20 0.32
USP2 O75604 1/20 0.32
CYP1A2 P05177 1/20 0.32
HTR1A P08908 1/20 0.32
ADRA2A P08913 1/20 0.32
CYP2D6 P10635 1/20 0.32
CHRM1 P11229 1/20 0.32
CYP2C9 P11712 1/20 0.32
DRD1 P21728 1/20 0.32
TBXA2R P21731 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
SCHEMBL779237 0.88 PTPN5 (0.42) PTPN5PTPN2PTGDR2PTGS2LMNA
SCHEMBL779179 0.80 PTPN5 (0.37) PTPN5PTPN2PTGDR2PTGS2GAA
SCHEMBL19878092 0.78 PTGDR2 (0.44) PTPN5PTPN2PTGDR2PTGS2NAAA
SCHEMBL29468619 0.77 PTGDR2 (0.49) PTPN5PTPN2PTGDR2USP2CYP1A2
SCHEMBL27628134 0.74 PTGDR2 (0.41) PTPN5PTPN2PTGDR2PTGS2NAAA
SCHEMBL777539 0.74 PTPN5 (0.41) PTPN5PTPN2PTGDR2PTGS2GAA
SCHEMBL4132144 0.72 PTPN1 (0.38) PTPN5PTPN2CYP1A2CYP2C9
SCHEMBL29468595 0.71 PTGDR2 (0.40) PTPN5PTPN2PTGDR2PTGS2LMNA
SCHEMBL776503 0.70 PGK1 (0.38) PTPN5GAATDP1CYP1A2CYP2C9
SCHEMBL777944 0.69 PTPN5 (0.40) PTPN5

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 6 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-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