SCHEMBL4625213

SCHEMBL4625213

O=C(CO)OCC(CO)(CO)CO

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.46
HIF1A Q16665 2/20 0.46
ALDH1A1 P00352 1/20 0.46
TP53 P04637 1/20 0.46
CYP3A4 P08684 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL2762200 0.89 MAPK1 (0.39) MAPK1HIF1AALDH1A1TP53CYP3A4
SCHEMBL9405299 0.86 ALDH1A1 (0.41) MAPK1HIF1AALDH1A1TP53CYP3A4
SCHEMBL31453981 0.82 MAPK1 (0.35) MAPK1HIF1AALDH1A1TP53CYP3A4
SCHEMBL7163793 0.81 ALDH1A1 (0.41) MAPK1HIF1AALDH1A1TP53CYP3A4
SCHEMBL2592237 0.80 ALDH1A1 (0.43) MAPK1HIF1AALDH1A1TP53CYP3A4
SCHEMBL8342617 0.80 ALDH1A1 (0.43) MAPK1HIF1AALDH1A1TP53CYP3A4
SCHEMBL538388 0.80 ALDH1A1 (0.43) MAPK1HIF1AALDH1A1TP53CYP3A4
SCHEMBL11514839 0.80 CYP3A4 (0.43) MAPK1HIF1AALDH1A1TP53CYP3A4
Hydrogen Sulfide SCHEMBL21904608 0.78 ALDH1A1 (0.42) MAPK1HIF1AALDH1A1TP53CYP3A4
SCHEMBL16917836 0.78 MAPK1 (0.33) MAPK1HIF1AALDH1A1TP53CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1735259-A4 PENTAERYTHRITOL DERIVATIVES AND A METHOD FOR PREPARATION THEREOF, AND LIQUID CRYSTAL BASE CONTAINING THE SAME AMOREPACIFIC CORP (KR) 2008-02-27 EP disclosed
EP-1735259-A1 PENTAERYTHRITOL DERIVATIVES AND A METHOD FOR PREPARATION THEREOF, AND LIQUID CRYSTAL BASE CONTAINING THE SAME Amorepacific Corporation (KR) 2006-12-27 EP disclosed
WO-2005097718-A1 PENTAERYTHRITOL DERIVATIVES AND A METHOD FOR PREPARATION THEREOF, AND LIQUID CRYSTAL BASE CONTAINING THE SAME AMOREPACIFIC CORPORATION (KR) 2005-10-20 WO disclosed