SCHEMBL7628366

SCHEMBL7628366

C=C(C)C(=O)OCOC(C)OC

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.52
ALDH1A1 P00352 2/20 0.46
THRB P10828 1/20 0.40
POLB P06746 1/20 0.30
APEX1 P27695 1/20 0.30
HTT P42858 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL4863944 0.83 THRB (0.52) TSHRALDH1A1THRBPOLBAPEX1
SCHEMBL7634480 0.83 TSHR (0.50) TSHRALDH1A1THRB
SCHEMBL1642968 0.82 TSHR (0.57) TSHRALDH1A1THRBPOLBAPEX1
SCHEMBL7742905 0.77 TSHR (0.52) TSHRALDH1A1THRBPOLBAPEX1
SCHEMBL12732378 0.77 TSHR (0.57) TSHRALDH1A1THRBPOLBAPEX1
SCHEMBL148579 0.76 TSHR (0.58) TSHRALDH1A1THRBPOLBAPEX1
SCHEMBL16944260 0.76 TSHR (0.55) TSHRALDH1A1THRBTDP1
SCHEMBL15815036 0.74
SCHEMBL285496 0.74
Hydrochloric Acid SCHEMBL14976774 0.74 TSHR (0.56) TSHRALDH1A1THRBPOLBAPEX1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2015132734-A1 3D PRINTED NAILS MOYAL DANIEL (IL) 2015-09-11 WO disclosed
US-6455033-B1 ANTIMICROBIAL COMPOSITION; POLYMERIZABLE ACRYLIC MONOMERS; POLYMERIZATION CATALYSTS; MYCONE DENTAL CORP. 2002-09-24 US disclosed