SCHEMBL11802473

SCHEMBL11802473

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

nearest known ligand 0.64

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.64
TSHR P16473 4/20 0.45
ALDH1A1 P00352 4/20 0.43
POLB P06746 1/20 0.33
APEX1 P27695 1/20 0.33
HTT P42858 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
LMNA P02545 1/20 0.32
HSD17B10 Q99714 1/20 0.32

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
SCHEMBL268178 0.84 THRB (0.48) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL15348149 0.80 THRB (0.58) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL268440 0.79 THRB (0.66) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL36524 0.79 THRB (1.00) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL268727 0.78 THRB (0.65) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL11805475 0.78 THRB (0.55) THRBTSHRALDH1A1
SCHEMBL13862895 0.78 THRB (0.63) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL27864626 0.78 THRB (0.63) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL20276173 0.77 THRB (0.59) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL8850621 0.77 THRB (0.96) 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-3935342-A POLYMERIZATION WITH AN UNSATURATED SILYL MONOMER MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DT) 1976-01-27 US disclosed