SCHEMBL14648232

SCHEMBL14648232

C1COC1.C=C(C)C(=O)OCCO

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.48
TSHR P16473 4/20 0.47
ALDH1A1 P00352 2/20 0.46
POLB P06746 1/20 0.36
APEX1 P27695 1/20 0.36
HTT P42858 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
CA1 P00915 3/20 0.32
CA2 P00918 3/20 0.32
ACHE P22303 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
Oxirane SCHEMBL170556 0.94 THRB (0.50) THRBTSHRALDH1A1POLBAPEX1
Tetrahydrofuran SCHEMBL5508826 0.93 TSHR (0.49) THRBTSHRALDH1A1POLBAPEX1
Dioxane SCHEMBL158462 0.92 THRB (0.48) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL9419658 0.91 TSHR (0.47) THRBTSHRALDH1A1POLBAPEX1
Methacrylic Acid SCHEMBL27539985 0.89 THRB (0.46) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL14841686 0.89 TSHR (0.49) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL6864388 0.88 THRB (0.59) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL14886 0.88
SCHEMBL29229747 0.88 THRB (0.59) THRBTSHRALDH1A1POLBAPEX1
Ethylene SCHEMBL629900 0.86 THRB (0.57) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8362291-B2 poly-1,3-propylene glycol mono or di-(meth)acrylates in combination with a polymerization inhibitor; for coatings and radiation curable applications; desired physical properties and reduced degradation during production; 1,3-propanediol can be a renewable monomer E I DU PONT DE NEMOURS AND COMPANY (US) 2013-01-29 US claimed
US-8362291-B2 poly-1,3-propylene glycol mono or di-(meth)acrylates in combination with a polymerization inhibitor; for coatings and radiation curable applications; desired physical properties and reduced degradation during production; 1,3-propanediol can be a renewable monomer E I DU PONT DE NEMOURS AND COMPANY (US) 2013-01-29 US disclosed