SCHEMBL778295

SCHEMBL778295

O=S(Oc1ccccc1)OC(C(F)(F)F)(C(F)(F)F)C(F)(F)F

nearest known ligand 0.32

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.31
TSHR P16473 1/20 0.31
POLB P06746 1/20 0.30
PDK1 Q15118 1/20 0.30
PDK2 Q15119 1/20 0.30
PDK3 Q15120 1/20 0.30
PDK4 Q16654 1/20 0.30
EPHX2 P34913 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC2 Q92769 1/20 0.30

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
SCHEMBL776322 0.85 LTA4H (0.31) LTA4HTSHRPOLBPDK1PDK2
SCHEMBL775655 0.84 TSHR (0.33) LTA4HTSHRPOLBPDK1PDK2
SCHEMBL776946 0.81
SCHEMBL775618 0.80
SCHEMBL775657 0.77 EPHX2 (0.31) EPHX2HDAC1HDAC2
SCHEMBL775482 0.76 LTA4H (0.45) LTA4HTSHREPHX2
SCHEMBL28056005 0.76 CA4 (0.36) LTA4HTSHR
SCHEMBL776408 0.76 MAPT (0.36) TSHREPHX2HDAC1HDAC2
Fluoride SCHEMBL778296 0.74 CA4 (0.34) LTA4HTSHR
SCHEMBL29524127 0.72 LTA4H (0.41) LTA4HTSHREPHX2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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