Oxalic Acid

Oxalic Acid

SCHEMBL4400644

C=CC[Ti].O=C(O)C(=O)O

nearest known ligand 0.41

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Known targets — ChEMBL curated mechanism

OPRM1SLC6A4

The experimentally established mechanism targets of Oxalic Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.39
TSHR P16473 6/20 0.35
ALDH1A1 P00352 6/20 0.35
MAPK1 P28482 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
HSD17B10 Q99714 2/20 0.35
ABCC4 O15439 1/20 0.35
MAPT P10636 1/20 0.35
ALOX15 P16050 1/20 0.35
TP53 P04637 2/20 0.31
HIF1A Q16665 2/20 0.31
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
GRIK1 P39086 2/20 0.30
GRIK2 Q13002 2/20 0.30
FGFR4 P22455 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
SCHEMBL497438 0.78
Bromide SCHEMBL5193865 0.73
SCHEMBL1413970 0.73
Hydrochloric Acid SCHEMBL5193678 0.73
SCHEMBL6870850 0.73
Oxalic Acid SCHEMBL27568890 0.73 LMNA (0.39) LMNATSHRALDH1A1MAPK1TDP1
Oxalic Acid SCHEMBL27525256 0.73 TSHR (0.43) LMNATSHRALDH1A1MAPK1TDP1
Hydrochloric Acid SCHEMBL11289284 0.70
Oxalic Acid SCHEMBL17985765 0.70 LMNA (0.50) LMNATSHRALDH1A1MAPK1TDP1
Oxalic Acid SCHEMBL23277203 0.69 TSHR (0.38) LMNATSHRALDH1A1MAPK1TDP1

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 12 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-20120141723-A1 POLYMER FIBER CONTAINING FLAME RETARDANT, PROCESS FOR PRODUCING THE SAME, AND MATERIAL CONTAINING SUCH FIBERS SHELL OIL COMPANY 2012-06-07 US disclosed
EP-2084170-A1 POLYMER FIBER CONTAINING FLAME RETARDANT, PROCESS FOR PRODUCING THE SAME, AND MATERIAL CONTAINING SUCH FIBERS Shell Internationale Research Maatschappij B.V. (NL) 2009-08-05 EP disclosed
EP-2084169-A1 POLYMER COMPOSITION CONTAINING FLAME RETARDANT AND PROCESS FOR PRODUCING THE SAME Shell Internationale Research Maatschappij B.V. (NL) 2009-08-05 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-20080132620-A1 POLYMER COMPOSITION CONTAINING FLAME RETARDANT AND PROCESS FOR PRODUCING THE SAME SHELL OIL COMPANY 2008-06-05 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
WO-2008061075-A1 POLYMER COMPOSITION CONTAINING FLAME RETARDANT AND PROCESS FOR PRODUCING THE SAME SHELL OIL COMPANY (US) 2008-05-22 WO disclosed
WO-2008061087-A1 POLYMER FIBER CONTAINING FLAME RETARDANT, PROCESS FOR PRODUCING THE SAME, AND MATERIAL CONTAINING SUCH FIBERS SHELL OIL COMPANY (US) 2008-05-22 WO 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