Terephthalic Acid

Terephthalic Acid

SCHEMBL28523263

O=C(O)c1cc(C(=O)O)cc(C(=O)O)c1.O=C(O)c1ccc(C(=O)O)cc1.O=C(O)c1cccc(C(=O)O)c1

nearest known ligand 0.73

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 0.65
DAO P14920 1/20 0.65
NAPRT Q6XQN6 1/20 0.65
TP53 P04637 1/20 0.63
CA12 O43570 1/20 0.62
CA1 P00915 1/20 0.62
CA2 P00918 1/20 0.62
CA6 P23280 1/20 0.62
CA9 Q16790 1/20 0.62
SRD5A2 P31213 2/20 0.61
CES2 O00748 1/20 0.61
CES1 P23141 1/20 0.61
MEN1 O00255 1/20 0.61
KMT2A Q03164 1/20 0.61
KMO O15229 1/20 0.58
CYP1A2 P05177 1/20 0.58
CYP2C9 P11712 1/20 0.58
HPGD P15428 1/20 0.58
HSD17B10 Q99714 1/20 0.58
L3MBTL1 Q9Y468 2/20 0.57

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 SCHEMBL10927557 0.97 TSHR (0.68) TSHRDAONAPRTTP53CA12
Terephthalic Acid SCHEMBL4872836 0.97 TSHR (0.68) TSHRDAONAPRTTP53CA12
Terephthalic Acid SCHEMBL184129 0.97 TSHR (0.68) TSHRDAONAPRTTP53CA12
Terephthalic Acid SCHEMBL10905833 0.95 TSHR (0.65) TSHRDAONAPRTTP53CA12
Terephthalic Acid SCHEMBL20545273 0.95 TSHR (0.65) TSHRDAONAPRTTP53CA12
Terephthalic Acid SCHEMBL20545275 0.95 TSHR (0.65) TSHRDAONAPRTTP53CA12
Terephthalic Acid SCHEMBL10420586 0.95 TSHR (0.65) TSHRDAONAPRTTP53CA12
Terephthalic Acid SCHEMBL10597727 0.95 TSHR (0.65) TSHRDAONAPRTTP53CA12
Terephthalic Acid SCHEMBL3070285 0.92 TSHR (0.62) TSHRDAONAPRTTP53CA12
Terephthalic Acid SCHEMBL11855013 0.92 TSHR (0.62) TSHRDAONAPRTTP53CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112403473-B Synthesis method for preparing reforming catalyst through MOFs 上海簇睿低碳能源技术有限公司 2022-12-30 CN disclosed
CN-112403473-A Synthetic method for preparing reforming catalyst through MOFs 上海簇睿低碳能源技术有限公司 2021-02-26 CN disclosed