SCHEMBL14280622

SCHEMBL14280622

CC(=O)OC(I)CCOCCOCC(I)OC(C)=O

nearest known ligand 0.40

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.32
TDP1 Q9NUW8 1/20 0.32
ALDH1A1 P00352 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
SCHEMBL14280604 0.85 TSHR (0.32) TSHRALDH1A1
SCHEMBL14280619 0.83 TSHR (0.33) TSHRTDP1ALDH1A1
SCHEMBL14280631 0.80 TSHR (0.31) TSHRTDP1ALDH1A1
SCHEMBL5491378 0.76 TSHR (0.40) TSHRTDP1ALDH1A1
SCHEMBL6663422 0.71
SCHEMBL6861581 0.70 TSHR (0.44) TSHRTDP1ALDH1A1
SCHEMBL21811641 0.68 ALDH1A1 (0.41) TSHRALDH1A1
SCHEMBL13269568 0.68 TSHR (0.42) TSHRTDP1ALDH1A1
SCHEMBL21811935 0.67 PRKCA (0.44) ALDH1A1
SCHEMBL11291557 0.67 ADRA1D (0.37) TSHRTDP1ALDH1A1

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-20080021185-A1 initiator systems; block polymers of vinyl acetate, vinyl alcohol, or polyvinyl butyral; use as water-soluble films, biodegradable and water-soluble polymers, detergents, in adhesives and as emulsifier; e.g. star polyethylene glycol modified with polyvinyl alcohol groups through a phenylene spacer CELANESE VENTURES GMBH (DE) 2008-01-24 US disclosed
US-20080021185-A1 initiator systems; block polymers of vinyl acetate, vinyl alcohol, or polyvinyl butyral; use as water-soluble films, biodegradable and water-soluble polymers, detergents, in adhesives and as emulsifier; e.g. star polyethylene glycol modified with polyvinyl alcohol groups through a phenylene spacer CELANESE VENTURES GMBH (DE) 2008-01-24 US disclosed