Terephthalic Acid

Terephthalic Acid

SCHEMBL7099415

N.O=C(O)c1ccc(C(=O)O)cc1.[NaH]

nearest known ligand 0.86

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 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.86
TP53 P04637 1/20 0.86
SRD5A2 P31213 4/20 0.71
CA1 P00915 3/20 0.67
CA2 P00918 3/20 0.67
CA12 O43570 1/20 0.67
CA3 P07451 1/20 0.67
TYR P14679 1/20 0.67
DRD1 P21728 1/20 0.67
CA4 P22748 1/20 0.67
CA6 P23280 1/20 0.67
CA5A P35218 1/20 0.67
CA7 P43166 1/20 0.67
CA9 Q16790 1/20 0.67
CA14 Q9ULX7 1/20 0.67
CA5B Q9Y2D0 1/20 0.67
NAPRT Q6XQN6 2/20 0.65
DAO P14920 1/20 0.65
ALDH1A1 P00352 2/20 0.63
ALOX15 P16050 1/20 0.63

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 SCHEMBL29199063 0.96 TSHR (0.92) TSHRTP53SRD5A2CA1CA2
Terephthalic Acid SCHEMBL1065024 0.96 TSHR (0.92) TSHRTP53SRD5A2CA1CA2
Terephthalic Acid SCHEMBL1115993 0.96 TSHR (0.92) TSHRTP53SRD5A2CA1CA2
Terephthalic Acid SCHEMBL104074 0.96 TSHR (0.92) TSHRTP53SRD5A2CA1CA2
Terephthalic Acid SCHEMBL1204011 0.96 TSHR (0.92) TSHRTP53SRD5A2CA1CA2
Terephthalic Acid SCHEMBL15641846 0.93 TSHR (0.86) TSHRTP53SRD5A2CA1CA2
Terephthalic Acid SCHEMBL11040866 0.93 TSHR (0.86) TSHRTP53SRD5A2CA1CA2
Terephthalic Acid SCHEMBL29280174 0.93 TSHR (0.86) TSHRTP53SRD5A2CA1CA2
Terephthalic Acid SCHEMBL26133493 0.93 TSHR (0.86) TSHRTP53SRD5A2CA1CA2
Terephthalic Acid SCHEMBL15641844 0.93 TSHR (0.86) TSHRTP53SRD5A2CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2722393-B1 METHOD FOR PRODUCING USEFUL CHEMICAL SUBSTANCE FROM TEREPHTHALIC ACID POTASSIUM SALT KAO CORP (JP) 2019-01-09 EP disclosed
US-9394549-B2 Method for producing useful chemical substance from terephthalic acid potassium salt GENARIS, INC. (JP) 2016-07-19 US disclosed
US-20140120593-A1 METHOD FOR PRODUCING USEFUL CHEMICAL SUBSTANCE FROM TEREPHTHALIC ACID POTASSIUM SALT KAO CORPORATION (JP) 2014-05-01 US disclosed
EP-2722393-A1 METHOD FOR PRODUCING USEFUL CHEMICAL SUBSTANCE FROM TEREPHTHALIC ACID POTASSIUM SALT Genaris, Inc. (JP) 2014-04-23 EP disclosed
EP-0971991-B1 INK ADDITIVES AVECIA LTD (GB) 2003-09-03 EP disclosed
US-6319309-B1 FOR INK JET PRINTING INKS TO GIVE IMAGES HAVING HIGH WATER FASTNESS AND GOOD OPTICAL DENSITY AVECIA LIMITED (GB) 2001-11-20 US disclosed
EP-0971991-A1 INK ADDITIVES Avecia Limited (GB) 2000-01-19 EP disclosed
WO-1998044057-A1 INK ADDITIVES AVECIA LIMITED (GB) 1998-10-08 WO disclosed
US-4457814-A TO P-HYDROXYMETHYLBENZOIC ACID STANDARD OIL COMPANY (INDIANA) (US) 1984-07-03 US disclosed