SCHEMBL11210985

SCHEMBL11210985

C=C(C)C(=O)OC.C=C(C)C(=O)OCCO.C=CN1CCCC1=O

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.36
THRB P10828 1/20 0.33
TSHR P16473 3/20 0.32
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
SCHEMBL3141829 0.95 THRB (0.36) ALDH1A1THRBTSHRPOLBAPEX1
Methacrylic Acid SCHEMBL28595629 0.92 POLB (0.34) THRBTSHRPOLBAPEX1HTT
Methacrylic Acid SCHEMBL29353183 0.91 THRB (0.35) THRBTSHRPOLBAPEX1HTT
SCHEMBL14973716 0.90 THRB (0.34) ALDH1A1THRBTSHR
Acrylamide SCHEMBL28703253 0.89 THRB (0.32) THRBTSHRPOLBAPEX1HTT
SCHEMBL28333248 0.89 THRB (0.41) ALDH1A1THRBTSHRPOLBAPEX1
SCHEMBL264350 0.89 ALDH1A1 (0.46) ALDH1A1THRB
SCHEMBL29353135 0.88 THRB (0.34) THRBTSHRPOLBAPEX1HTT
SCHEMBL29430956 0.88 ALDH1A1 (0.34) ALDH1A1THRBTSHRPOLBAPEX1
Triethylene Glycol SCHEMBL11303361 0.87 ALDH1A1 (0.33) ALDH1A1

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-4379893-A HYDROXYETHYL METHACRYLATE-VINYL PYRROLIDONE COPOLYMER DIAMOND SHAMROCK CORPORATION (US) 1983-04-12 US claimed