SCHEMBL5015241

SCHEMBL5015241

CC(=O)OP(=O)(O)OCCCO

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LPAR3 Q9UBY5 4/20 0.35
LPAR1 Q92633 2/20 0.35
LPAR2 Q9HBW0 2/20 0.35
BTN3A1 O00481 1/20 0.35
PPARD Q03181 1/20 0.32
CYP3A4 P08684 1/20 0.31
MVD P53602 1/20 0.31
PLA2G2C Q5R387 1/20 0.31
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL21764803 0.84 CYP3A4 (0.50) LPAR3LPAR1LPAR2CYP3A4ALDH1A1
SCHEMBL21764567 0.82 LPAR3 (0.57) LPAR3LPAR1LPAR2CYP3A4ALDH1A1
SCHEMBL27540332 0.82 CYP3A4 (0.48) LPAR3LPAR1LPAR2CYP3A4ALDH1A1
SCHEMBL28080528 0.82 BTN3A1 (0.39) LPAR3LPAR1LPAR2BTN3A1ALDH1A1
SCHEMBL4393949 0.80 LPAR3 (0.39) LPAR3LPAR1LPAR2BTN3A1PPARD
SCHEMBL16640030 0.79 LPAR3 (0.40) LPAR3LPAR1LPAR2CYP3A4PLA2G2C
SCHEMBL21764565 0.79 LPAR3 (0.38) LPAR3LPAR1LPAR2BTN3A1CYP3A4
SCHEMBL11952605 0.78 SAT1 (0.42) LPAR3LPAR1LPAR2BTN3A1PPARD
SCHEMBL16559184 0.77 LPAR3 (0.39) LPAR3LPAR1LPAR2BTN3A1PPARD
SCHEMBL29176806 0.77 TSHR (0.39) LPAR3LPAR1LPAR2BTN3A1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1805243-B1 POLYTRIMETHYLENE TEREPHTHALATE HAVING A LOW LEVEL OF ACROLEIN AND A PROCESS FOR PRODUCING THE SAME LURGI ZIMMER GMBH (DE) 2013-01-09 EP disclosed
US-20080194793-A1 POLYTRIMETHYLENE TEREPHTHALATE HAVING A LOW LEVEL OF ACROLEIN AND A PROCESS FOR PRODUCING THE SAME KELSEY DONALD ROSS 2008-08-14 US disclosed
US-7381787-B2 Polytrimethylene terephthalate having a low level of acrolein and a process for producing the same SHELL OIL COMPANY (US) 2008-06-03 US disclosed
EP-1805243-A1 POLYTRIMETHYLENE TEREPHTHALATE HAVING A LOW LEVEL OF ACROLEIN AND A PROCESS FOR PRODUCING THE SAME SHELL INTERNATIONAL RESEARCH MAATSCHAPPIJ B.V. (NL) 2007-07-11 EP disclosed
US-20060084783-A1 Polytrimethylene terephthalate having a low level of acrolein and a process for producing the same LURGI ZIMMER GMBH (DE) 2006-04-20 US disclosed
WO-2006033917-A1 POLYTRIMETHYLENE TEREPHTHALATE HAVING A LOW LEVEL OF ACROLEIN AND A PROCESS FOR PRODUCING THE SAME SHELL INTERNATIONAL RESEARCH MAATSCHAPPIJ B.V. (NL) 2006-03-30 WO disclosed