SCHEMBL4096013

SCHEMBL4096013

O=S(=O)(Oc1ccccc1C1CCCC1)C(F)(F)F

nearest known ligand 0.64

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 12/20 0.64
DRD3 P35462 12/20 0.64
DRD4 P21917 11/20 0.64
DRD1 P21728 9/20 0.64
DRD5 P21918 9/20 0.64
PTGDR2 Q9Y5Y4 1/20 0.49
HTR5A P47898 1/20 0.44
PTGS2 P35354 1/20 0.41
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
SCHEMBL9956909 0.98 DRD2 (0.62) DRD2DRD3DRD4DRD1DRD5
SCHEMBL22444937 0.94 DRD2 (0.60) DRD2DRD3DRD4DRD1DRD5
SCHEMBL6926725 0.87 HTR1A (0.56) DRD2DRD3DRD4DRD1DRD5
Iodide SCHEMBL8734869 0.86 DRD2 (0.51) DRD2DRD3DRD4DRD1DRD5
SCHEMBL23467151 0.85 DRD2 (0.50) DRD2DRD3DRD4DRD1DRD5
SCHEMBL12004481 0.85 DRD3 (0.53) DRD2DRD3DRD4DRD1DRD5
Hydrogen Sulfide SCHEMBL29924299 0.84 DRD2 (0.49) DRD2DRD3DRD4DRD1DRD5
SCHEMBL21590355 0.84 DRD2 (0.64) DRD2DRD3DRD4DRD1DRD5
SCHEMBL10182018 0.84 DRD3 (0.52) DRD2DRD3DRD4DRD1DRD5
SCHEMBL21590214 0.83 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 5 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
WO-2009055674-A1 PYRROLOPYRIMIDINE ALKYNYL COMPOUNDS AND METHODS OF MAKING AND USING SAME TARGEGEN INC. (US) 2009-04-30 WO disclosed
WO-2009055674-A1 PYRROLOPYRIMIDINE ALKYNYL COMPOUNDS AND METHODS OF MAKING AND USING SAME TARGEGEN INC. (US) 2009-04-30 WO disclosed