SCHEMBL803106

SCHEMBL803106

CC(=O)OC(OCC(F)(F)F)OCC(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.41
TSHR P16473 2/20 0.39
TDP1 Q9NUW8 1/20 0.36
CHRM2 P08172 1/20 0.34
CHRM4 P08173 1/20 0.34
CHRM1 P11229 1/20 0.34
TBXA2R P21731 1/20 0.34
GALR3 O60755 1/20 0.33
MAPT P10636 1/20 0.33
BLM P54132 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
PLA2G2C Q5R387 1/20 0.32
ALOX15 P16050 1/20 0.31
ACACB O00763 1/20 0.31

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
SCHEMBL802520 0.77 HTT (0.41) HTT
SCHEMBL662137 0.73 THRB (0.50) TSHRTDP1CHRM2CHRM4CHRM1
SCHEMBL24780836 0.73 HTT (0.41) HTTPLA2G2CACACB
SCHEMBL24781319 0.73 HTT (0.41) HTTPLA2G2CACACB
SCHEMBL10012676 0.72 HTT (0.52) HTTTSHRTDP1CHRM2CHRM4
SCHEMBL9796747 0.72 TSHR (0.53) TSHRTDP1CHRM2CHRM4CHRM1
SCHEMBL24781008 0.71 HTT (0.40) HTTPLA2G2C
SCHEMBL1240025 0.71 TSHR (0.37) HTTTSHRTDP1CHRM2CHRM4
SCHEMBL9937549 0.71 HTT (0.41) HTTTSHRTDP1CHRM2CHRM4
SCHEMBL28051942 0.71 TSHR (0.42) HTTTSHRTDP1CHRM2CHRM4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120070730-A1 NONAQUEOUS ELECTROLYTE AND NONAQUEOUS ELECTROLYTE BATTERY SONY CORPORATION (JP) 2012-03-22 US disclosed