SCHEMBL3674419

SCHEMBL3674419

CCC(CO)(CO)COC(=O)C(C)O

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.42
TP53 P04637 1/20 0.42
CYP3A4 P08684 1/20 0.42
MAPK1 P28482 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HIF1A Q16665 1/20 0.42
HTT P42858 1/20 0.33
THRB P10828 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
SCHEMBL14270893 0.90 THRB (0.39) ALDH1A1TP53CYP3A4MAPK1SMN1; SMN2
SCHEMBL11357854 0.86 ALDH1A1 (0.39) ALDH1A1TP53CYP3A4MAPK1SMN1; SMN2
SCHEMBL30667290 0.84 ALDH1A1 (0.42) ALDH1A1TP53CYP3A4MAPK1SMN1; SMN2
SCHEMBL15809467 0.78 ALDH1A1 (0.37) ALDH1A1TP53CYP3A4MAPK1SMN1; SMN2
SCHEMBL19396949 0.78 HDAC1 (0.41) ALDH1A1TP53CYP3A4MAPK1SMN1; SMN2
SCHEMBL22346341 0.77 MEN1 (0.32) HTT
SCHEMBL1357290 0.77 MAPK1 (0.42) ALDH1A1TP53CYP3A4MAPK1SMN1; SMN2
SCHEMBL3683178 0.77 ALDH1A1 (0.44) ALDH1A1TP53CYP3A4MAPK1SMN1; SMN2
SCHEMBL18289508 0.76 ALDH1A1 (0.35) ALDH1A1TP53CYP3A4MAPK1SMN1; SMN2
SCHEMBL12192461 0.76 CA1 (0.36) ALDH1A1TP53CYP3A4MAPK1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111892874-A Double decomposition unsaturated polyol ester primer and preparation method thereof 安徽江锐新材料有限公司 2020-11-06 CN claimed
US-7781506-B2 Poly(vinyl alcohol) composition comprising a polyol E.I. DU PONT DE NEMOURS AND COMPANY (US) 2010-08-24 US claimed
US-20080182937-A1 Poly(vinyl alcohol) composition comprising polyol KURARAY CO., LTD. (JP) 2008-07-31 US claimed
US-4675177-A ALUMINUM-ZIRCONIUM SALTS, LACTATE ESTERS OF LOWER ALKANOLS AMERICAN CYANAMID COMPANY (US) 1987-06-23 US claimed
CN-111892874-A Double decomposition unsaturated polyol ester primer and preparation method thereof 安徽江锐新材料有限公司 2020-11-06 CN disclosed
CN-106631779-B Polyol esters and their use in processing halogenated vinyl polymers 济南金昌树新材料科技有限公司 2020-07-14 CN disclosed
US-7781506-B2 Poly(vinyl alcohol) composition comprising a polyol E.I. DU PONT DE NEMOURS AND COMPANY (US) 2010-08-24 US disclosed
US-20080182937-A1 Poly(vinyl alcohol) composition comprising polyol KURARAY CO., LTD. (JP) 2008-07-31 US disclosed
US-4132839-A Biodegradable hydrophilic foams and method W. R. GRACE & CO. (US) 1979-01-02 US disclosed
US-4049592-A Biodegradable hydrophilic foams and method W. R. GRACE & CO. (US) 1977-09-20 US disclosed