SCHEMBL11805713

SCHEMBL11805713

C=C(C)C(=O)OCCOCC(O)OCC

nearest known ligand 0.64

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ THRB P10828 2/20 0.64
▸ TSHR P16473 4/20 0.45
▸ ALDH1A1 P00352 3/20 0.39
▸ 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
SCHEMBL7557762 0.84 TSHR (0.57) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL6673564 0.83 ALDH1A1 (0.59) THRBTSHRALDH1A1HTTTDP1
SCHEMBL16209800 0.82 THRB (0.56) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL15901831 0.81 THRB (0.55) THRBTSHRALDH1A1POLBAPEX1
Ethylene SCHEMBL19209994 0.81 THRB (0.60) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL15348117 0.80 THRB (0.58) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL1398528 0.80 THRB (0.61) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL7673814 0.80 THRB (0.61) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL36524 0.79 THRB (1.00) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL16250302 0.78 HSD17B10 (0.42) THRBTSHRALDH1A1HTTTDP1

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-3935342-A POLYMERIZATION WITH AN UNSATURATED SILYL MONOMER MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DT) 1976-01-27 — — US disclosed
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