SCHEMBL27655802

SCHEMBL27655802

C=C(C)C(=O)OCCOC(CC)S(=O)(=O)O

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.50
TSHR P16473 4/20 0.45
ALDH1A1 P00352 3/20 0.33
POLB P06746 1/20 0.33
APEX1 P27695 1/20 0.33
HTT P42858 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL11322538 0.88 THRB (0.47) THRBTSHRALDH1A1POLBAPEX1
Sulfuric Acid SCHEMBL1683726 0.78 THRB (0.63) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL14981 0.78 TSHR (0.38) THRBTSHRALDH1A1
SCHEMBL14044625 0.78 THRB (0.58) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL10484093 0.76 THRB (0.56) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL219269 0.76 TSHR (0.37) THRBTSHRALDH1A1
SCHEMBL444304 0.76 TSHR (0.37) THRBTSHRALDH1A1
SCHEMBL27867536 0.75 THRB (0.47) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL11703001 0.75 THRB (0.43) THRBTSHRALDH1A1POLBAPEX1
Ammonia Solution, Strong SCHEMBL28050132 0.74 THRB (0.46) THRBTSHRALDH1A1POLBAPEX1

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
CN-1809941-A Fuel cell cartridge for portable electronic device POLYFUEL INC (US) 2006-07-26 CN disclosed