SCHEMBL14280627

SCHEMBL14280627

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.42
CHRM2 P08172 2/20 0.37
CHRM4 P08173 2/20 0.37
CHRM1 P11229 2/20 0.37
TBXA2R P21731 2/20 0.37
SMN1; SMN2 Q16637 3/20 0.35
GALR3 O60755 1/20 0.35
MAPT P10636 1/20 0.35
BLM P54132 1/20 0.35
TDP1 Q9NUW8 1/20 0.34
ALOX15 P16050 1/20 0.33
LMNA P02545 2/20 0.31
MEN1 O00255 1/20 0.31
CYP1A2 P05177 1/20 0.31
HRH1 P35367 1/20 0.31
KMT2A Q03164 1/20 0.31
ALDH1A1 P00352 5/20 0.31
HSD17B10 Q99714 1/20 0.31
TRPV1 Q8NER1 1/20 0.31
PGR P06401 1/20 0.30

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
SCHEMBL14280605 0.91 TSHR (0.36) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL14280631 0.84 TSHR (0.31) TSHRTDP1ALDH1A1
SCHEMBL28881912 0.81 TSHR (0.53) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL31037010 0.74 TSHR (0.46) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL3387966 0.72 TSHR (0.50) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL24746488 0.70 TSHR (0.42) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL17266192 0.67
SCHEMBL410451 0.67
SCHEMBL13289932 0.67 TSHR (0.44) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL17484627 0.67

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 1 patent. 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