SCHEMBL777060

SCHEMBL777060

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

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.44
ALDH1A1 P00352 1/20 0.44
NT5E P21589 1/20 0.44
LMNA P02545 1/20 0.41
CA2 P00918 13/20 0.38
CA1 P00915 12/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TDP1 Q9NUW8 1/20 0.36
POLB P06746 1/20 0.34
CYP2D6 P10635 1/20 0.34
PTPRZ1 P23471 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
SCHEMBL777272 0.95 TSHR (0.42) TSHRALDH1A1NT5ELMNACA2
SCHEMBL778371 0.89 TSHR (0.47) TSHRALDH1A1NT5ELMNACA2
SCHEMBL10377765 0.83 CA1 (0.41) TSHRALDH1A1NT5ELMNACA2
SCHEMBL28608045 0.82 TSHR (0.48) TSHRALDH1A1NT5ELMNACA2
SCHEMBL28616318 0.82 TSHR (0.44) TSHRALDH1A1NT5ELMNACA2
SCHEMBL776653 0.81 TSHR (0.50) TSHRALDH1A1NT5ELMNACA2
SCHEMBL775755 0.75 LMNA (0.41) TSHRALDH1A1NT5ELMNACA2
SCHEMBL29001852 0.75 ALDH1A1 (0.52) TSHRALDH1A1NT5ELMNACA2
SCHEMBL20560555 0.74 CA2 (0.43) LMNACA2CA1SMN1; SMN2
SCHEMBL10377767 0.74 ALDH1A1 (0.33) TSHRALDH1A1NT5ELMNACA2

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