SCHEMBL13482020

SCHEMBL13482020

COCC(=O)COC(C)=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.43
HSD17B10 Q99714 2/20 0.43
LMNA P02545 1/20 0.43
SMN1; SMN2 Q16637 4/20 0.36
CHRM5 P08912 2/20 0.36
CHRM1 P11229 2/20 0.36
CHRM3 P20309 2/20 0.36
TSHR P16473 2/20 0.36
PGR P06401 1/20 0.36
CHRM2 P08172 1/20 0.36
CHRM4 P08173 1/20 0.36
HTR1A P08908 1/20 0.36
CHRNB2 P17787 1/20 0.36
TBXA2R P21731 1/20 0.36
CHRNB4 P30926 1/20 0.36
CHRNA3 P32297 1/20 0.36
CHRNA7 P36544 1/20 0.36
CHRNA4 P43681 1/20 0.36
CHRNA10 Q9GZZ6 1/20 0.36
CHRNA9 Q9UGM1 1/20 0.36

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
SCHEMBL311876 0.89 ALDH1A1 (0.53) ALDH1A1HSD17B10LMNASMN1; SMN2CHRM5
SCHEMBL626926 0.83
SCHEMBL2706963 0.78 ALDH1A1 (0.48) ALDH1A1HSD17B10LMNASMN1; SMN2CHRM5
SCHEMBL10458715 0.77 ALOX15 (0.46) ALDH1A1HSD17B10LMNASMN1; SMN2CHRM5
SCHEMBL28723956 0.77 ALOX15 (0.46) HSD17B10LMNASMN1; SMN2CHRM5CHRM1
SCHEMBL5954824 0.77 MGAM (0.52) ALDH1A1HSD17B10LMNATSHRGAA
SCHEMBL12814201 0.76
SCHEMBL6572365 0.76
SCHEMBL713608 0.76
SCHEMBL197897 0.76

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7659420-B2 Polymers made from chemically protected dihydroxyacetone monomers e.g., 2,2-dimethoxy-1,3-propanediol and/or dimers such as 2,5-dialkoxy-2,5-bis(hydroxymethyl)-1,4-dioxane; e.g. polycarbonates, polyspiroacetals, polyesters and polyurethanes; biodegradable with minimal toxicity; biomedical, consumer use CORNELL RESEARCH FOUNDATION, INC (US) 2010-02-09 US disclosed
US-20080194786-A1 Polymers made from chemically protected dihydroxyacetone monomers e.g., 2,2-dimethoxy-1,3-propanediol and/or dimers such as 2,5-dialkoxy-2,5-bis(hydroxymethyl)-1,4-dioxane; e.g. polycarbonates, polyspiroacetals, polyesters and polyurethanes; biodegradable with minimal toxicity; biomedical, consumer use CORNELL RESEARCH FOUNDATION, INC. (US) 2008-08-14 US disclosed
US-20070059789-A1 Process for the enzymatic synthesis of ethers GOLDSCHMIDT GMBH (DE) 2007-03-15 US disclosed
US-20070059789-A1 Process for the enzymatic synthesis of ethers GOLDSCHMIDT GMBH (DE) 2007-03-15 US disclosed