SCHEMBL17850089

SCHEMBL17850089

C=C(C)C(=O)OCC(=O)CI

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.47
THRB P10828 1/20 0.44
ALDH1A1 P00352 2/20 0.41
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
SCHEMBL17339986 0.80 TSHR (0.48) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL1389356 0.80 THRB (0.50) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL10950285 0.78 TSHR (0.47) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL1087310 0.78 TSHR (0.47) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL1171553 0.77 TSHR (0.45) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL1755557 0.77 TSHR (0.50) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL10488493 0.77
SCHEMBL587102 0.77 TSHR (0.54) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL9704499 0.77 TSHR (0.54) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL21313125 0.77 TSHR (0.54) TSHRTHRBALDH1A1POLBAPEX1

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
EP-3035121-A2 MONOMER, POLYMER, RESIST COMPOSITION, AND PATTERNING PROCESS Shin-Etsu Chemical Co., Ltd. (JP) 2016-06-22 EP disclosed