SCHEMBL9956909

SCHEMBL9956909

O=S(=O)(Oc1ccccc1C1CCCCC1)C(F)(F)F

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 11/20 0.62
DRD3 P35462 11/20 0.62
DRD4 P21917 10/20 0.62
DRD1 P21728 8/20 0.62
DRD5 P21918 8/20 0.62
PTGDR2 Q9Y5Y4 1/20 0.51
PTGS2 P35354 1/20 0.43
HTR5A P47898 1/20 0.43
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
MCOLN2 Q8IZK6 1/20 0.39
MCOLN3 Q8TDD5 1/20 0.39
MCOLN1 Q9GZU1 1/20 0.39
HTR1D P28221 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
SCHEMBL4096013 0.98 DRD2 (0.64) DRD2DRD3DRD4DRD1DRD5
SCHEMBL22444937 0.92 DRD2 (0.60) DRD2DRD3DRD4DRD1DRD5
Iodide SCHEMBL8734869 0.88 DRD2 (0.51) DRD2DRD3DRD4DRD1DRD5
SCHEMBL23467151 0.87 DRD2 (0.50) DRD2DRD3DRD4DRD1DRD5
Hydrogen Sulfide SCHEMBL29924299 0.86 DRD2 (0.49) DRD2DRD3DRD4DRD1DRD5
SCHEMBL10182018 0.86 DRD3 (0.52) DRD2DRD3DRD4DRD1DRD5
SCHEMBL6926725 0.85 HTR1A (0.56) DRD2DRD3DRD4DRD1DRD5
SCHEMBL12004481 0.84 DRD3 (0.53) DRD2DRD3DRD4DRD1DRD5
SCHEMBL21590355 0.83 DRD2 (0.64) DRD2DRD3DRD4DRD1DRD5
SCHEMBL21590214 0.82 DRD2 (0.76) DRD2DRD3DRD4DRD1DRD5

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 8 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
EP-2467364-A2 NITROGEN-CONTAINING COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF ATRIAL FIBRILLATION Otsuka Pharmaceutical Co., Ltd. (JP) 2012-06-27 EP disclosed