SCHEMBL10179774

SCHEMBL10179774

CCC(C)(C)c1ccccc1OS(=O)(=O)C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 9/20 0.43
DRD3 P35462 8/20 0.43
DRD4 P21917 6/20 0.43
DRD1 P21728 4/20 0.43
DRD5 P21918 4/20 0.43
HTR1D P28221 2/20 0.39
HTR5A P47898 1/20 0.39

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
SCHEMBL10180929 0.87 DRD2 (0.33) DRD2DRD3DRD4DRD1DRD5
SCHEMBL1997201 0.83 TDP1 (0.44) DRD2DRD3DRD4DRD1DRD5
SCHEMBL29414132 0.83 TDP1 (0.44) DRD2DRD3DRD4DRD1DRD5
Iodide SCHEMBL6927596 0.82 TDP1 (0.43) DRD2DRD3DRD4DRD1DRD5
Hydrogen Sulfide SCHEMBL4225727 0.82 TDP1 (0.43) DRD2DRD3DRD4DRD1DRD5
SCHEMBL10180560 0.82 MAPK1 (0.36)
SCHEMBL10180520 0.82 SMN1; SMN2 (0.36)
SCHEMBL10179979 0.81 ALDH1A1 (0.47)
SCHEMBL6207099 0.80 PPARG (0.43) DRD2DRD3DRD4DRD1DRD5
SCHEMBL10180575 0.79 KMT2A (0.50)

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