SCHEMBL9301049

SCHEMBL9301049

C1=C(OC2=CCCC2)CCC1.C=C(C)C(=O)OCCOCCO

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.45
TSHR P16473 3/20 0.35
POLB P06746 1/20 0.33
APEX1 P27695 1/20 0.33
HTT P42858 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
CA1 P00915 3/20 0.32
CA2 P00918 3/20 0.32
ALDH1A1 P00352 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
SCHEMBL4824966 0.92 THRB (0.39) THRBTSHRPOLBAPEX1HTT
SCHEMBL15475367 0.82 THRB (0.44) THRBTSHRPOLBAPEX1HTT
SCHEMBL9300390 0.80 TSHR (0.51) THRBTSHRALDH1A1
SCHEMBL11573487 0.80 THRB (0.43) THRBTSHRPOLBAPEX1HTT
Di(Hydroxyethyl)Ether SCHEMBL491939 0.80 TSHR (0.42) TSHRALDH1A1
SCHEMBL629901 0.80 THRB (0.68) THRBTSHRPOLBAPEX1HTT
SCHEMBL2367411 0.80 THRB (0.68) THRBTSHRPOLBAPEX1HTT
SCHEMBL2804854 0.80 THRB (0.68) THRBTSHRPOLBAPEX1HTT
Di(Hydroxyethyl)Ether SCHEMBL18317889 0.80 THRB (0.68) THRBTSHRPOLBAPEX1HTT
SCHEMBL33376 0.80 THRB (0.68) THRBTSHRPOLBAPEX1HTT

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-5326840-A Radiation-sensitive mixture containing novel polymers embodying units composed of amides of α, β-unsaturated carboxylic acids as binders HOECHST AKTIENGESELLSCHAFT (DE) 1994-07-05 US disclosed