SCHEMBL14280605

SCHEMBL14280605

COCCOC(I)OC(C)=O

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.36
CHRM2 P08172 1/20 0.32
CHRM4 P08173 1/20 0.32
CHRM1 P11229 1/20 0.32
TBXA2R P21731 1/20 0.32
GALR3 O60755 1/20 0.31
MAPT P10636 1/20 0.31
BLM P54132 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
ALDH1A1 P00352 1/20 0.31
TDP1 Q9NUW8 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
SCHEMBL14280627 0.91 TSHR (0.42) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL14280631 0.77 TSHR (0.31) TSHRALDH1A1TDP1
SCHEMBL7160076 0.77 TSHR (0.42) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL28881912 0.74 TSHR (0.53) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL17471370 0.72 TSHR (0.33) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL14280619 0.72 TSHR (0.33) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL14280604 0.71 TSHR (0.32) TSHRALDH1A1
SCHEMBL28300930 0.70 TSHR (0.48) TSHRCHRM2CHRM4CHRM1TBXA2R
Acetic Acid Methyl Ester SCHEMBL28848187 0.69 ALDH1A1 (0.67) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL9203082 0.69 THRB (0.35)

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