SCHEMBL10180864

SCHEMBL10180864

CCCCCc1ccccc1OS(=O)(=O)CC(F)(F)F

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
THRA P10827 1/20 0.45
THRB P10828 1/20 0.45
ALOX5 P09917 1/20 0.41
PTGS2 P35354 1/20 0.41
PPARA Q07869 2/20 0.40
LIPG Q9Y5X9 1/20 0.39
PPARG P37231 1/20 0.39
MGLL Q99685 1/20 0.39
KCNH2 Q12809 6/20 0.37
PAX8 Q06710 1/20 0.36

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
SCHEMBL10180566 0.85 THRA (0.51) THRATHRBALOX5PTGS2PPARA
SCHEMBL10180973 0.83 THRA (0.47) THRATHRBALOX5PTGS2PPARA
SCHEMBL10180214 0.83 HTT (0.44) THRBPPARAPPARG
SCHEMBL10179746 0.82 THRA (0.49) THRATHRBALOX5PTGS2PPARA
SCHEMBL8099840 0.82 THRA (0.49) THRATHRBPPARALIPGPPARG
SCHEMBL3692479 0.81 THRA (0.51) THRATHRBALOX5PTGS2PPARA
SCHEMBL9647422 0.81 THRA (0.51) THRATHRBALOX5PTGS2PPARA
SCHEMBL10180862 0.81 THRA (0.45) THRATHRBALOX5PTGS2PPARA
Iodide SCHEMBL6941466 0.81 THRA (0.48) THRATHRBPPARALIPGPPARG
SCHEMBL11791849 0.81 THRA (0.52) THRATHRBALOX5PTGS2PPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130244122-A1 NONAQUEOUS ELECTROLYTIC SOLUTION AND NONAQUEOUS-ELECTROLYTE BATTERY EMPLOYING THE SAME ONUKI MASAMICHI (JP) 2013-09-19 US disclosed
US-20120219866-A1 NONAQUEOUS ELECTROLYTIC SOLUTION AND NONAQUEOUS-ELECTROLYTE BATTERY EMPLOYING THE SAME MITSUBISHI CHEMICAL CORPORATION (JP) 2012-08-30 US disclosed
EP-2475041-A1 NON-AQUEOUS ELECTROLYTIC SOLUTION, AND NON-AQUEOUS ELECTROLYTE BATTERY COMPRISING SAME Mitsubishi Chemical Corporation (JP) 2012-07-11 EP disclosed