Terephthalic Acid

Terephthalic Acid

SCHEMBL6664020

O=C([O-])c1ccc(C(=O)[O-])cc1.[Pd+2]

nearest known ligand 0.68

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

OPRM1

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

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 18/20 0.68
▸ CA1 P00915 17/20 0.68
▸ CA4 P22748 1/20 0.63
▸ TP53 P04637 1/20 0.44
▸ TSHR P16473 1/20 0.44
▸ MAPT P10636 1/20 0.42

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
Terephthalic Acid SCHEMBL10823259 0.93 CA2 (0.68) CA2CA1CA4TP53TSHR
Terephthalic Acid SCHEMBL1008761 0.93 CA2 (0.68) CA2CA1CA4TP53TSHR
Terephthalic Acid SCHEMBL9253149 0.93 CA2 (0.68) CA2CA1CA4TP53TSHR
Terephthalic Acid SCHEMBL3163862 0.93 CA2 (0.68) CA2CA1CA4TP53TSHR
Terephthalic Acid SCHEMBL20704875 0.93 CA2 (0.68) CA2CA1CA4TP53TSHR
Terephthalic Acid SCHEMBL10898181 0.93 CA2 (0.68) CA2CA1CA4TP53TSHR
Terephthalic Acid SCHEMBL6664068 0.93 CA2 (0.68) CA2CA1CA4TP53TSHR
Terephthalic Acid SCHEMBL1010631 0.93 CA2 (0.68) CA2CA1CA4TP53TSHR
Terephthalic Acid SCHEMBL21958268 0.93 CA2 (0.68) CA2CA1CA4TP53TSHR
Terephthalic Acid SCHEMBL3044026 0.93 CA2 (0.68) CA2CA1CA4TP53TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0727608-B1 Gas storage apparatus, gaseous fuel automobile using the gas storage apparatus, gas storage method and methane adsorbing-retaining agent OSAKA GAS CO LTD (JP) 2004-09-01 — — EP claimed
US-5862796-A Gas storage apparatus, gaseous fuel automobile using the gas storage apparatus, gas storage method and methane adsorbing-retaining agent OSAKA GAS CO., LTD. (JP) 1999-01-26 — — US claimed
EP-0727608-A2 Gas storage apparatus, gaseous fuel automobile using the gas storage apparatus, gas storage method and methane adsorbing-retaining agent OSAKA GAS CO., LTD. (JP) 1996-08-21 — — EP claimed
CN-103386303-B A kind of hydrogenation catalyst and preparation method thereof SINOPEC CORP. (CN) 2016-03-02 — — CN disclosed
CN-102698744-B Sandwich cylindrical catalyst and preparation method thereof CHINA PETROLEUM & CHEMICAL 2014-07-23 — — CN disclosed
CN-103386303-A Hydrogenation catalyst and preparation method thereof CHINA PETROLEUM & CHEMICAL 2013-11-13 — — CN disclosed
CN-102139211-B Method for preparing noble metal/TiO2-C catalyst for hydrofining of crude terephthalic acid CHINA PETROLEUM & CHEMICAL 2013-02-13 — — CN disclosed
EP-0727608-B1 Gas storage apparatus, gaseous fuel automobile using the gas storage apparatus, gas storage method and methane adsorbing-retaining agent OSAKA GAS CO LTD (JP) 2004-09-01 — — EP disclosed
CN-1062492-C Process for reclaiming waste catalyst with low palladium content WEI SHIPING (CN) 2001-02-28 — — CN disclosed
US-5998647-A BIPHENYL DICARBOXYLIC ACID COPPER COMPLEX OSAKA GAS CO., LTD. (JP) 1999-12-07 — — US disclosed
US-5862796-A Gas storage apparatus, gaseous fuel automobile using the gas storage apparatus, gas storage method and methane adsorbing-retaining agent OSAKA GAS CO., LTD. (JP) 1999-01-26 — — US disclosed
CN-1186718-A Process for reclaiming waste catalyst with low palladium content WEI SHIPING (CN) 1998-07-08 — — CN disclosed
EP-0727608-A2 Gas storage apparatus, gaseous fuel automobile using the gas storage apparatus, gas storage method and methane adsorbing-retaining agent OSAKA GAS CO., LTD. (JP) 1996-08-21 — — EP disclosed
EP-0019483-B1 METHOD OF PRODUCING BIPHENYLTETRACARBOXYLIC ESTERS UBE INDUSTRIES, LTD. (JP) 1982-09-29 — — EP disclosed
US-4338456-A PALLADIUM SALT CATALYST UBE INDUSTRIES, LTD. (JP) 1982-07-06 — — US disclosed
US-4294976-A DEHYDROGENATIVE DIMERIZATION IN THE PRESENCE OF OXALIC ACID AND A PALLADIUM CATALYST UBE INDUSTRIES, LTD. (JP) 1981-10-13 — — US disclosed
US-4292435-A PREFERENTIAL COUPLING OF THE PHENYL DIALKYL ESTER USING A CATALYST OF A PALLADIUM COMPOUND AND 1,10-PHENANTHROLINE UBE INDUSTRIES, LTD. (JP) 1981-09-29 — — US disclosed
EP-0019483-A1 Method of producing biphenyltetracarboxylic esters UBE INDUSTRIES, LTD. (JP) 1980-11-26 — — EP disclosed
US-3940426-A CRYSTALLIZATION OF ISOMERS UBE INDUSTRIES, LTD. (JA) 1976-02-24 — — US disclosed
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