SCHEMBL10180083

SCHEMBL10180083

CCC(C)c1ccccc1S(=O)(=O)C(F)(F)CF

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.42
HSD11B1 P28845 2/20 0.35
RORC P51449 1/20 0.33
PARG Q86W56 1/20 0.31
CASP1 P29466 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31

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
SCHEMBL10180860 0.86 HSD11B1 (0.47) TSHRHSD11B1CA1CA2
SCHEMBL10180918 0.86 TSHR (0.50) TSHRHSD11B1RORCCASP1CA1
SCHEMBL10180084 0.78 TSHR (0.44) TSHRHSD11B1RORCCASP1
SCHEMBL10179596 0.76 HSD11B1 (0.47) HSD11B1
SCHEMBL10180449 0.75 TSHR (0.52) TSHRRORCCASP1
SCHEMBL10180789 0.75 TSHR (0.52) TSHRRORCCASP1
SCHEMBL10180086 0.75 TSHR (0.44) TSHRHSD11B1RORCCASP1
SCHEMBL10181389 0.74 GABRA1 (0.37) HSD11B1CA2
SCHEMBL6730274 0.74 TSHR (0.55) TSHRRORCCASP1
SCHEMBL10180174 0.73 TSHR (0.46) TSHRRORCCASP1

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