SCHEMBL474744

SCHEMBL474744

C=C(C)C(=O)OCC(C)O.C=C(C)C(=O)OCCn1c(=O)n(CCO)c(=O)n(CCO)c1=O

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.44
THRB P10828 1/20 0.36
ALDH1A1 P00352 2/20 0.33
POLB P06746 1/20 0.31
APEX1 P27695 1/20 0.31
HTT P42858 1/20 0.31
TDP1 Q9NUW8 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
SCHEMBL248011 0.89 THRB (0.43) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL56973 0.89 THRB (0.43) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL150780 0.83 THRB (0.48) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL486580 0.82 APEX1 (0.41) TSHRTHRBALDH1A1POLBAPEX1
1,3-Butanediol SCHEMBL1172320 0.81 TSHR (0.38) TSHRTHRBALDH1A1APEX1HTT
SCHEMBL23004645 0.80 TSHR (0.43) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL17703263 0.80 TSHR (0.43) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL4450451 0.80 TSHR (0.58) TSHRTHRBALDH1A1POLBAPEX1
Ethylene Glycol SCHEMBL28321709 0.78 TSHR (0.64) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL21657670 0.77 THRB (0.43) 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-2412738-A1 TRANSPARENT COMPOSITE MATERIAL SHOWA DENKO K.K. (JP) 2012-02-01 EP disclosed