SCHEMBL196898

SCHEMBL196898

O=S(=O)(O)c1ccc2cc3c(cc2c1S(=O)(=O)O)Oc1cc2ccccc2cc1O3

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.41
CTRB1 P17538 1/20 0.38
MPL P40238 6/20 0.38
CTRC Q99895 2/20 0.38
ALDH1A1 P00352 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
ALOX15 P16050 1/20 0.35
ATIC P31939 1/20 0.35
CYP2C19 P33261 1/20 0.35
HIF1A Q16665 1/20 0.35
HSD17B10 Q99714 1/20 0.35
POLB P06746 1/20 0.34
CASP6 P55212 1/20 0.34
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
MAPT P10636 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
RCE1 Q9Y256 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
SCHEMBL151653 0.84 CYP2D6 (0.46) CYP2D6CTRB1MPLCTRCALDH1A1
SCHEMBL30108870 0.84 CYP2D6 (0.46) CYP2D6CTRB1MPLCTRCALDH1A1
Ammonia Solution, Strong SCHEMBL30109021 0.83 CYP2D6 (0.45) CYP2D6CTRB1MPLCTRCALDH1A1
SCHEMBL686314 0.83 CYP2D6 (0.45) CYP2D6CTRB1MPLCTRCALDH1A1
SCHEMBL248203 0.78 CYP2D6 (0.39) CYP2D6CTRB1MPLCTRCALDH1A1
SCHEMBL41541 0.77 CYP2D6 (0.53) CYP2D6CTRB1MPLCTRCALDH1A1
SCHEMBL4578484 0.75 CYP2D6 (0.51) CYP2D6CTRB1MPLCTRCALDH1A1
Water SCHEMBL669870 0.75 CYP2D6 (0.51) CYP2D6CTRB1MPLCTRCALDH1A1
SCHEMBL8835967 0.75 CYP2D6 (0.51) CYP2D6CTRB1MPLCTRCALDH1A1
SCHEMBL3233245 0.75 CYP2D6 (0.51) CYP2D6CTRB1MPLCTRCALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2638126-B1 NEGATIVE DISPERSION RETARDATION PLATE AND ACHROMATIC CIRCULAR POLARIZER CRYSOPTIX KK (JP) 2015-02-18 EP claimed
EP-2638126-A1 NEGATIVE DISPERSION RETARDATION PLATE AND ACHROMATIC CIRCULAR POLARIZER CRYSOPTIX K.K. (JP) 2013-09-18 EP claimed
EP-2630523-A1 RETARDER AND LIQUID CRYSTAL DISPLAY COMPRISING THE SAME CRYSOPTIX K.K. (JP) 2013-08-28 EP claimed
EP-2622392-A1 PATTERNED RETARDER CRYSOPTIX K.K. (JP) 2013-08-07 EP claimed
EP-2331655-B1 COMPOSITION OF ORGANIC COMPOUNDS, OPTICAL FILM AND METHOD OF PRODUCTION THEREOF CRYSOPTIX KK (JP) 2013-07-03 EP claimed
WO-2013003780-A1 THREE-DIMENSIONAL CIRCULAR POLARIZATION EYEGLASSES CRYSOPTIX KK (JP) 2013-01-03 WO claimed
WO-2012064618-A1 NEGATIVE DISPERSION RETARDATION PLATE AND ACHROMATIC CIRCULAR POLARIZER CRYSOPTIX KK (JP) 2012-05-18 WO claimed
WO-2012052950-A1 RETARDER AND LIQUID CRYSTAL DISPLAY COMPRISING THE SAME CRYSOPTIX KK (JP) 2012-04-26 WO claimed
WO-2012044867-A1 PATTERNED RETARDER CRYSOPTIX KK (JP) 2012-04-05 WO claimed
JP-2012500316-A 2012-01-05 JP claimed
EP-2331655-A2 COMPOSITION OF ORGANIC COMPOUNDS, OPTICAL FILM AND METHOD OF PRODUCTION THEREOF CRYSOPTIX K.K. (JP) 2011-06-15 EP claimed
WO-2010020928-A2 COMPOSITION OF ORGANIC COMPOUNDS, OPTICAL FILM AND METHOD OF PRODUCTION THEREOF CRYSOPTIX KK (JP) 2010-02-25 WO claimed
US-RE45850-E1 Composition of organic compounds, optical film and method of production thereof CRYSOPTIX K.K. (JP) 2016-01-19 US disclosed
EP-2638126-B1 NEGATIVE DISPERSION RETARDATION PLATE AND ACHROMATIC CIRCULAR POLARIZER CRYSOPTIX KK (JP) 2015-02-18 EP disclosed
US-20140334002-A1 PATTERNED RETARDER CRYSOPTIX KK (JP) 2014-11-13 US disclosed
EP-2622392-A1 PATTERNED RETARDER CRYSOPTIX K.K. (JP) 2013-08-07 EP disclosed
EP-2331655-B1 COMPOSITION OF ORGANIC COMPOUNDS, OPTICAL FILM AND METHOD OF PRODUCTION THEREOF CRYSOPTIX KK (JP) 2013-07-03 EP disclosed
US-20130003178-A1 THREE-DIMENSIONAL CIRCULAR POLARIZATION EYEGLASSES CRYSOPTIX KK (JP) 2013-01-03 US disclosed
US-20120099052-A1 RETARDER AND LIQUID CRYSTAL DISPLAY COMPRISING THE SAME CRYSOPTIX KK (JP) 2012-04-26 US disclosed
WO-2012044867-A1 PATTERNED RETARDER CRYSOPTIX KK (JP) 2012-04-05 WO disclosed