SCHEMBL3468565

SCHEMBL3468565

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

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.50
TP53 P04637 3/20 0.50
HIF1A Q16665 3/20 0.50
CYP3A4 P08684 2/20 0.50
MAPK1 P28482 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
TSHR P16473 6/20 0.38
HPGD P15428 1/20 0.35
HSD17B10 Q99714 1/20 0.34
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
SCHEMBL45341 0.77 TSHR (0.30) TSHR
SCHEMBL5798115 0.73 ALDH1A1 (0.56) ALDH1A1TP53HIF1ACYP3A4MAPK1
SCHEMBL3093948 0.72 ALDH1A1 (0.55) ALDH1A1TP53HIF1ACYP3A4MAPK1
SCHEMBL20011617 0.72 ALDH1A1 (0.69) ALDH1A1TP53HIF1ACYP3A4MAPK1
SCHEMBL8679288 0.71 ALDH1A1 (0.53) ALDH1A1TP53HIF1ACYP3A4MAPK1
Acrylic Acid SCHEMBL30827425 0.70 LMNA (0.43) ALDH1A1TP53HIF1ACYP3A4MAPK1
SCHEMBL20645731 0.69 TSHR (0.55) ALDH1A1TP53HIF1ACYP3A4MAPK1
SCHEMBL151566 0.68 ALDH1A1 (1.00) ALDH1A1TP53HIF1ACYP3A4MAPK1
SCHEMBL274920 0.68 ALDH1A1 (0.91) ALDH1A1TP53HIF1ACYP3A4MAPK1
SCHEMBL123908 0.68 ALDH1A1 (0.91) ALDH1A1TP53HIF1ACYP3A4MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2147033-A1 AN ISOCYANATE TERMINATED POLYMER AND USE OF THE SAME IN A RADIATION CURABLE POLYURETHANE DISPERSION Perstorp Specialty Chemicals AB (SE) 2010-01-27 EP disclosed
WO-2008136732-A1 AN ISOCYANATE TERMINATED POLYMER AND USE OF THE SAME IN A RADIATION CURABLE POLYURETHANE DISPERSION PERSTORP SPECIALTY CHEMICALS AB (SE) 2008-11-13 WO disclosed
EP-1601700-B1 PRESSURE POLYMERISATION PROCESS CELANESE EMULSIONS NORDEN AB (SE) 2007-09-12 EP disclosed
US-20060287425-A1 Method for production of a waterborne copolymer dispersion CELANESE EMULSIONS NORDEN AB (SE) 2006-12-21 US disclosed
US-20060106172-A1 Pressure polymerisation process CELANESE EMULSION NORDEN AB (SE) 2006-05-18 US disclosed
EP-1601700-A1 PRESSURE POLYMERISATION PROCESS Celanese Emulsions Norden AB (SE) 2005-12-07 EP disclosed
WO-2004072125-A1 PRESSURE POLYMERISATION PROCESS CELANESE EMULSIONS NORDEN AB (SE) 2004-08-26 WO disclosed