SCHEMBL778371

SCHEMBL778371

O=S(=O)(O)c1ccc(CC(F)(F)C(F)(F)F)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.47
ALDH1A1 P00352 2/20 0.47
NT5E P21589 1/20 0.47
LMNA P02545 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.40
TDP1 Q9NUW8 2/20 0.38
POLB P06746 1/20 0.36
CYP2D6 P10635 1/20 0.36
PTPRZ1 P23471 1/20 0.35
CA2 P00918 10/20 0.34
CA1 P00915 8/20 0.34
CA12 O43570 1/20 0.34
CA4 P22748 1/20 0.34
CA6 P23280 1/20 0.34
CA5A P35218 1/20 0.34
CA7 P43166 1/20 0.34
CA9 Q16790 1/20 0.34
CA14 Q9ULX7 1/20 0.34
CA5B Q9Y2D0 1/20 0.34
HSD17B10 Q99714 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
SCHEMBL28616318 0.89 TSHR (0.44) TSHRALDH1A1NT5ELMNASMN1; SMN2
SCHEMBL777060 0.89 TSHR (0.44) TSHRALDH1A1NT5ELMNASMN1; SMN2
SCHEMBL777272 0.87 TSHR (0.42) TSHRALDH1A1NT5ELMNASMN1; SMN2
SCHEMBL28608045 0.85 TSHR (0.48) TSHRALDH1A1NT5ELMNASMN1; SMN2
SCHEMBL776653 0.84 TSHR (0.50) TSHRALDH1A1NT5ELMNASMN1; SMN2
SCHEMBL775755 0.81 LMNA (0.41) TSHRALDH1A1NT5ELMNASMN1; SMN2
SCHEMBL29001852 0.78 ALDH1A1 (0.52) TSHRALDH1A1NT5ELMNASMN1; SMN2
SCHEMBL2484124 0.78 CA2 (0.44) TSHRALDH1A1NT5ELMNASMN1; SMN2
SCHEMBL11100709 0.76 ESR1 (0.54) TSHRALDH1A1NT5ELMNASMN1; SMN2
SCHEMBL10377765 0.75 CA1 (0.41) TSHRALDH1A1NT5ELMNASMN1; SMN2

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