SCHEMBL5953780

SCHEMBL5953780

C=C(C)C(=O)OC(CCC)OC(=O)C(=C)C.C=C(C)C(=O)OCCOC(=O)C(=C)C

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.55
TSHR P16473 4/20 0.53
ALDH1A1 P00352 4/20 0.39
POLB P06746 1/20 0.35
APEX1 P27695 1/20 0.35
HTT P42858 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
CA1 P00915 1/20 0.31
CA2 P00918 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
SCHEMBL142824 0.91 ALDH1A1 (0.46) THRBTSHRALDH1A1TDP1
SCHEMBL9317315 0.85 THRB (0.47) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL28993876 0.85 ALDH1A1 (0.41) THRBTSHRALDH1A1TDP1
SCHEMBL9019899 0.84 TSHR (0.57) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL11120334 0.84 TSHR (0.55) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL2943508 0.82 TSHR (0.41) THRBTSHRALDH1A1
SCHEMBL1873811 0.81 ALDH1A1 (0.46) THRBTSHRALDH1A1TDP1
1,6-Hexanediol SCHEMBL6313918 0.81 TSHR (0.43) THRBTSHRALDH1A1TDP1
SCHEMBL11048077 0.81 TSHR (0.51) THRBTSHRALDH1A1POLBAPEX1
Butane SCHEMBL1244632 0.80 THRB (0.72) 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
US-20060287425-A1 Method for production of a waterborne copolymer dispersion CELANESE EMULSIONS NORDEN AB (SE) 2006-12-21 US disclosed