SCHEMBL8433182

SCHEMBL8433182

C=C(C)C(=O)OCCO.C=C(C)C(=O)OCCOCCOCCOC(=O)C(=C)C

nearest known ligand 0.68

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.68
TSHR P16473 9/20 0.50
ALDH1A1 P00352 5/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
TP53 P04637 2/20 0.39
HIF1A Q16665 2/20 0.39
HSD17B10 Q99714 1/20 0.39
HTT P42858 2/20 0.38
POLB P06746 1/20 0.38
APEX1 P27695 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
MAPK1 P28482 1/20 0.36
CA1 P00915 3/20 0.33
CA2 P00918 3/20 0.33
MAPT P10636 1/20 0.33
ACHE P22303 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
SCHEMBL8914563 0.98 THRB (0.66) THRBTSHRALDH1A1MEN1KMT2A
SCHEMBL864145 0.96 THRB (0.68) THRBTSHRALDH1A1MEN1KMT2A
SCHEMBL33376 0.96 THRB (0.68) THRBTSHRALDH1A1MEN1KMT2A
Di(Hydroxyethyl)Ether SCHEMBL18317889 0.96 THRB (0.68) THRBTSHRALDH1A1MEN1KMT2A
Tetraethylene Glycol SCHEMBL8659912 0.96 THRB (0.68) THRBTSHRALDH1A1MEN1KMT2A
SCHEMBL629901 0.96 THRB (0.68) THRBTSHRALDH1A1MEN1KMT2A
SCHEMBL2809295 0.96 THRB (0.68) THRBTSHRALDH1A1MEN1KMT2A
SCHEMBL2367411 0.96 THRB (0.68) THRBTSHRALDH1A1MEN1KMT2A
SCHEMBL61385 0.96 THRB (0.68) THRBTSHRALDH1A1MEN1KMT2A
SCHEMBL863839 0.96 THRB (0.68) THRBTSHRALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5985958-A CURABLE POLYMER COMPOSITES, CURABLE MONOMERS, FILLERS AND ANAEROBIC STABILIZERS IVOCLAR AG (LI) 1999-11-16 US disclosed
EP-0206362-A1 Adhesive coating material TOKUYAMA SODA KABUSHIKI KAISHA (JP) 1986-12-30 EP disclosed
EP-0103420-A2 Adhesive coating material TOKUYAMA SODA KABUSHIKI KAISHA (JP) 1984-03-21 EP disclosed