Terephthalic Acid

Terephthalic Acid

SCHEMBL9130683

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

nearest known ligand 0.65

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 0.65
CA1 P00915 17/20 0.65
CA4 P22748 1/20 0.60
TP53 P04637 1/20 0.42
TSHR P16473 1/20 0.42
MAPT P10636 1/20 0.41

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 SCHEMBL320062 0.97 CA2 (0.68) CA2CA1CA4TP53TSHR
Terephthalic Acid SCHEMBL26690558 0.93 CA2 (0.65) CA2CA1CA4TP53TSHR
Terephthalic Acid SCHEMBL28535771 0.93 CA2 (0.65) CA2CA1CA4TP53TSHR
Terephthalic Acid SCHEMBL4450032 0.93 CA2 (0.65) CA2CA1CA4TP53TSHR
Terephthalic Acid SCHEMBL11577501 0.93 CA2 (0.65) CA2CA1CA4TP53TSHR
Terephthalic Acid SCHEMBL26133489 0.93 CA2 (0.65) CA2CA1CA4TP53TSHR
Terephthalic Acid SCHEMBL28582342 0.93 CA2 (0.65) CA2CA1CA4TP53TSHR
Terephthalic Acid SCHEMBL11577494 0.93 CA2 (0.65) CA2CA1CA4TP53TSHR
Terephthalic Acid SCHEMBL28895259 0.90 CA2 (0.62) CA2CA1CA4TP53TSHR
Terephthalic Acid SCHEMBL166041 0.90 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104292100-A Preparation method of calcium terephthalate, and application of calcium terephthalate in lithium ion battery UNIV ELECTRONIC SCIENCE & TECH 2015-01-21 CN disclosed
US-5380593-A Polymeric metal terephthalate and isophthalate fibers SYNTHETIC PRODUCTS COMPANY (US) 1995-01-10 US disclosed
US-5296585-A Polymeric metal terephthalate and isophthalate fibers and method of making SYNTHETIC PRODUCTS COMPANY (US) 1994-03-22 US disclosed
US-4767657-A SURFACE ROUGHNESS BY PRECIPITATION OF FINE PARTICLES DIAFOIL COMPANY, LIMITED (JP) 1988-08-30 US disclosed