Terephthalic Acid

Terephthalic Acid

SCHEMBL1234263

O=C(O)c1ccc(C(=O)O)cc1.O=C1OCCCCOC(=O)c2ccc1cc2

nearest known ligand 0.52

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 2/20 0.46
TP53 P04637 1/20 0.46
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
BCL2L1 Q07817 1/20 0.44
BAD Q92934 1/20 0.44
ALDH1A1 P00352 2/20 0.43
DAO P14920 1/20 0.43
NAPRT Q6XQN6 1/20 0.43
MAPK1 P28482 1/20 0.43
TTR P02766 1/20 0.43
SRD5A2 P31213 3/20 0.42
CES2 O00748 1/20 0.42
CES1 P23141 1/20 0.42
EGFR P00533 1/20 0.42
MKNK1 Q9BUB5 1/20 0.41
MKNK2 Q9HBH9 1/20 0.41
TNKS O95271 1/20 0.41
RXRA P19793 1/20 0.40
RXRB P28702 1/20 0.40

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
SCHEMBL8485036 0.98 BCL2L1 (0.47) TSHRTP53NPC1RAB9ABCL2L1
Terephthalic Acid SCHEMBL28622230 0.96 TSHR (0.46) TSHRTP53NPC1RAB9ABCL2L1
Terephthalic Acid SCHEMBL10383269 0.95 TSHR (0.41) TSHRTP53NPC1RAB9ABCL2L1
Terephthalic Acid SCHEMBL3979457 0.92 TSHR (0.50) TSHRTP53NPC1RAB9ABCL2L1
SCHEMBL5319785 0.90 BCL2L1 (0.50) TSHRTP53NPC1RAB9ABCL2L1
Isophthalic Acid SCHEMBL472832 0.89 KMO (0.47) NPC1RAB9AALDH1A1RXRARXRB
Terephthalic Acid SCHEMBL28482093 0.89 SMN1; SMN2 (0.42) TSHRTP53NPC1RAB9ABCL2L1
Terephthalic Acid SCHEMBL28279901 0.89 TSHR (0.46) TSHRTP53NPC1RAB9ABCL2L1
Terephthalic Acid SCHEMBL11133121 0.88 RARB (0.48) TP53NPC1RAB9AALDH1A1MAPK1
SCHEMBL7058234 0.88 RARB (0.48) TP53NPC1RAB9AALDH1A1MAPK1

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-2459646-A2 TOUGHENED POLYTRIMETHYLENE TEREPHTHALATE RESIN COMPOSITION E. I. du Pont de Nemours and Company (US) 2012-06-06 EP claimed
WO-2011014646-A2 TOUGHENED POLYTRIMETHYLENE TEREPHTHALATE RESIN COMPOSITION E. I. DU PONT DE NEMOURS AND COMPANY (US) 2011-02-03 WO claimed
CN-111718569-B Method for recovering polyglycolic acid and application thereof 上海浦景化工技术股份有限公司 2022-07-19 CN disclosed
CN-110859099-B Degradable seedling raising tray and preparation method thereof 河南青源天仁生物技术有限公司 2021-08-06 CN disclosed
CN-111718569-A Method for recovering polyglycolic acid and application thereof 上海浦景化工技术股份有限公司 2020-09-29 CN disclosed
CN-110859099-A Degradable seedling raising tray and preparation method thereof 河南青源天仁生物技术有限公司 2020-03-06 CN disclosed
CN-106350887-A Porous PBT fiber POY yarn and preparation method thereof 江苏恒力化纤股份有限公司 2017-01-25 CN disclosed
CN-105860043-A Thermoplastic polyester for antibacterial film and preparation method of thermoplastic polyester 苍南县宝丰印业有限公司 2016-08-17 CN disclosed
CN-105860044-A Thermoplastic polyester for films and preparation method thereof 苍南县宝丰印业有限公司 2016-08-17 CN disclosed
CN-105837810-A Thermoplastic polyester for antibacterial film and preparation method for thermoplastic polyester 苍南县宝丰印业有限公司 2016-08-10 CN disclosed
EP-0892721-A1 MULTILAYER CARD IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1999-01-27 EP disclosed
WO-1997037849-A1 MULTILAYER CARD IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1997-10-16 WO disclosed