SCHEMBL9957602

SCHEMBL9957602

O=S(=O)(CC(F)(F)F)Oc1ccc(C2CCCCC2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.46
DRD1 P21728 1/20 0.46
DRD4 P21917 1/20 0.46
DRD5 P21918 1/20 0.46
DRD3 P35462 1/20 0.46
LMNA P02545 2/20 0.40
HTT P42858 1/20 0.40
HRH3 Q9Y5N1 2/20 0.40
KCNH2 Q12809 1/20 0.40
ENPP3 O14638 2/20 0.39
ENPP1 P22413 2/20 0.39
ENPP2 Q13822 2/20 0.39
THRB P10828 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
ALDH1A1 P00352 2/20 0.38
MAPT P10636 2/20 0.38
HAO1 Q9UJM8 2/20 0.37
FAAH O00519 1/20 0.36
APOBEC3A P31941 1/20 0.36
APOBEC3G Q9HC16 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
SCHEMBL10180532 0.98 DRD2 (0.47) DRD2DRD1DRD4DRD5DRD3
SCHEMBL10180414 0.83 DRD2 (0.50) DRD2DRD1DRD4DRD5DRD3
SCHEMBL10181781 0.82 DRD2 (0.51) DRD2DRD1DRD4DRD5DRD3
SCHEMBL9957803 0.81 ENPP3 (0.56) DRD2DRD1DRD4DRD5DRD3
SCHEMBL9957718 0.81 DRD2 (0.60) DRD2DRD1DRD4DRD5DRD3
SCHEMBL576305 0.80 CA2 (0.44) HTTKMT2A
SCHEMBL3128608 0.80 DRD2 (0.61) DRD2DRD1DRD4DRD5DRD3
SCHEMBL10179695 0.80 ENPP3 (0.54) DRD2DRD1DRD4DRD5DRD3
SCHEMBL10179906 0.79 DRD2 (0.49) DRD2DRD1DRD4DRD5DRD3
SCHEMBL15726684 0.79 DRD2 (0.51) DRD2DRD1DRD4DRD5DRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9029024-B2 Nonaqueous electrolyte solution and electrochemical element using same UBE INDUSTRIES, LTD. (JP) 2015-05-12 US disclosed
EP-2469638-B1 NON-AQUEOUS ELECTROLYTIC SOLUTION AND ELECTROCHEMICAL DEVICE USING THE SAME UBE INDUSTRIES (JP) 2014-10-01 EP disclosed
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
US-20120189919-A1 NONAQUEOUS ELECTROLYTE SOLUTION AND ELECTROCHEMICAL ELEMENT USING SAME UBE INDUSTRIES, LTD. (JP) 2012-07-26 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
EP-2469638-A1 NONAQUEOUS ELECTROLYTE SOLUTION AND ELECTROCHEMICAL ELEMENT USING SAME Ube Industries, Ltd. (JP) 2012-06-27 EP disclosed