SCHEMBL3679809

SCHEMBL3679809

O=S(=O)(Oc1cccc(C(F)(c2cccc(OS(=O)(=O)C(F)(F)F)c2)C(F)(F)C(F)(F)F)c1)C(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
CA9 Q16790 1/20 0.38
DRD2 P14416 2/20 0.38
DRD1 P21728 2/20 0.38
DRD4 P21917 2/20 0.38
DRD5 P21918 2/20 0.38
DRD3 P35462 2/20 0.38
NR3C1 P04150 1/20 0.35
PGR P06401 1/20 0.35
AR P10275 1/20 0.35
ESR2 Q92731 1/20 0.35
HTR1A P08908 1/20 0.35
HTR1D P28221 1/20 0.35
HTR1B P28222 1/20 0.35
CETP P11597 1/20 0.34
PPARG P37231 3/20 0.34
PPARA Q07869 1/20 0.34
RORC P51449 1/20 0.34
HSD11B1 P28845 1/20 0.34

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
SCHEMBL841583 0.83 CA1 (0.40) CA1CA2CA9DRD2DRD1
SCHEMBL6938268 0.83 NR3C1 (0.48) CA1CA2CA9NR3C1PGR
SCHEMBL5178160 0.80 CA1 (0.56) CA1CA2CA9DRD2DRD1
SCHEMBL2349455 0.80 ACHE (0.44) CA1CA2CA9DRD2DRD1
SCHEMBL3677375 0.80 CA2 (0.46) CA1CA2CA9DRD2DRD1
SCHEMBL3668197 0.76 PGR (0.43) CA1CA2CA9DRD2DRD1
SCHEMBL3672835 0.76 PGR (0.43) CA1CA2CA9DRD2DRD1
SCHEMBL5177944 0.75 CA1 (0.50) CA1CA2CA9DRD2DRD1
SCHEMBL13416088 0.75 CA1 (0.45) CA1CA2CA9DRD2DRD1
SCHEMBL8499302 0.75 GAA (0.36) CA1CA2CA9DRD2DRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1329444-B1 Halogenated aromatic compound, (co)polymer thereof, and proton-conductive membrane comprising same JSR CORP (JP) 2010-05-05 EP disclosed
US-6933068-B2 Polymer electrolyte membrane and solid polymer electrolyte fuel cell using same HONDA GIKEN KOGYO KABUSHIKI KAISHA (JP) 2005-08-23 US disclosed
US-6833426-B2 A proton-conductive membrane containing the sulfonic acid group-containing polyarylene (co)polymer JSR CORPORATION (JP) 2004-12-21 US disclosed
US-20030173547-A1 Halogenated aromatic compound, (co)polymer thereof, and proton-conductive membrane comprising same JSR CORPORATION (JP) 2003-09-18 US disclosed
EP-1329444-A1 Halogenated aromatic compound, (co)polymer thereof, and proton-conductive membrane comprising same JSR Corporation (JP) 2003-07-23 EP disclosed
US-20020172850-A1 Polymer electrolyte membrane and solid polymer electrolyte fuel cell using same HONDA GIKEN KOGYO KABUSHIKI KAISHA, JSR CORPORATION 2002-11-21 US disclosed