SCHEMBL8766941

SCHEMBL8766941

C=COC(=O)OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOC(=O)C(=C)C

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.58
TSHR P16473 6/20 0.43
ALDH1A1 P00352 5/20 0.41
TP53 P04637 2/20 0.41
HIF1A Q16665 2/20 0.41
HSD17B10 Q99714 1/20 0.41
POLB P06746 1/20 0.34
APEX1 P27695 1/20 0.34
HTT P42858 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33

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
SCHEMBL94524 0.95 THRB (0.53) THRBTSHRALDH1A1TP53HIF1A
SCHEMBL8501236 0.85 THRB (0.70) THRBTSHRALDH1A1TP53HIF1A
SCHEMBL8510669 0.85 THRB (0.70) THRBTSHRALDH1A1TP53HIF1A
SCHEMBL284310 0.85 TSHR (0.54) THRBTSHRALDH1A1TP53HIF1A
SCHEMBL700642 0.83 THRB (0.79) THRBTSHRALDH1A1TP53HIF1A
SCHEMBL672102 0.83 THRB (0.79) THRBTSHRALDH1A1TP53HIF1A
SCHEMBL5959895 0.83 THRB (0.79) THRBTSHRALDH1A1TP53HIF1A
SCHEMBL22166147 0.83 THRB (0.79) THRBTSHRALDH1A1TP53HIF1A
SCHEMBL2367616 0.83 THRB (0.79) THRBTSHRALDH1A1TP53HIF1A
SCHEMBL7157722 0.83 THRB (0.79) THRBTSHRALDH1A1TP53HIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0611367-B1 NOVEL UV CURABLE CROSSLINKING AGENTS USEFUL IN COPOLYMERIZATION BAUSCH & LOMB (US) 1997-06-25 EP disclosed
US-5512205-A BIOMEDICAL ARTICLES, CONTACT LENSES BAUSCH & LOMB INCORPORATED (US) 1996-04-30 US disclosed
US-5449729-A Vinyl monomer and crosslinking agent and acrylates with styrene BAUSCH & LOMB INCORPORATED (US) 1995-09-12 US disclosed
US-5310779-A Compatible crosslinkers having vinyl-, acrylic-and/or styrenyl-groups to crosslink incompatible unsaturated addition monomers; contact lens; molding materials BAUSCH & LOMB INCORPORATED (US) 1994-05-10 US disclosed
WO-1993009084-A1 NOVEL UV CURABLE CROSSLINKING AGENTS USEFUL IN COPOLYMERIZATION BAUSCH & LOMB INCORPORATED (US) 1993-05-13 WO disclosed