SCHEMBL3356698

SCHEMBL3356698

O=C(O)C=COC(C=CC(=O)O)(C=CC(=O)O)C(CO)(CO)C(C=CC(=O)O)(C=CC(=O)O)OC=CC(=O)O.OCC(CO)(CO)CO.OCC(CO)(CO)CO

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.34
TP53 P04637 1/20 0.34
CYP3A4 P08684 1/20 0.34
MAPK1 P28482 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HIF1A Q16665 1/20 0.34

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
SCHEMBL157690 1.00 ALDH1A1 (0.34) ALDH1A1TP53CYP3A4MAPK1SMN1; SMN2
SCHEMBL1011667 0.95 HCAR2 (0.31)
SCHEMBL9863317 0.94 ALDH1A1 (0.31) ALDH1A1TP53CYP3A4MAPK1SMN1; SMN2
SCHEMBL157683 0.91 ALDH1A1 (0.31) ALDH1A1TP53CYP3A4MAPK1SMN1; SMN2
SCHEMBL892974 0.89
SCHEMBL5148476 0.86 ALDH1A1 (0.34) ALDH1A1TP53CYP3A4MAPK1SMN1; SMN2
SCHEMBL1746346 0.86 ALDH1A1 (0.34) ALDH1A1TP53CYP3A4MAPK1SMN1; SMN2
Phosphoric Acid SCHEMBL2703749 0.85
SCHEMBL4243901 0.85
SCHEMBL16105807 0.84 ABCC4 (0.33) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1940984-B1 DUAL CURE COMPOSITION PERSTORP SPECIALTY CHEM AB (SE) 2013-07-03 EP claimed
EP-3283540-A1 AQUEOUS POLYURETHANE-POLYACRYLATE DISPERSIONS Covestro Deutschland AG (DE) 2018-02-21 EP disclosed
EP-2704754-B1 HYDROPHILIC POLYURETHANE FOAM WITH LOW VOLUME SWELLING COVESTRO DEUTSCHLAND AG (DE) 2017-03-22 EP disclosed
WO-2016166096-A1 AQUEOUS POLYURETHANE-POLYACRYLATE DISPERSIONS COVESTRO DEUTSCHLAND AG (DE) 2016-10-20 WO disclosed
EP-2228396-A1 Networked aqueous polyacrylate dispersion Bayer MaterialScience AG (DE) 2010-09-15 EP disclosed