Terephthalic Acid

Terephthalic Acid

SCHEMBL7058811

O=C(O)C1(C(=O)O)CCCCC1.O=C(O)c1ccc(C(=O)O)cc1

nearest known ligand 0.54

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 0.52
TP53 P04637 1/20 0.52
TPMT P51580 1/20 0.48
SRD5A2 P31213 4/20 0.46
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
CA12 O43570 1/20 0.44
CA3 P07451 1/20 0.44
TYR P14679 1/20 0.44
DRD1 P21728 1/20 0.44
CA4 P22748 1/20 0.44
CA6 P23280 1/20 0.44
CA5A P35218 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44
CA14 Q9ULX7 1/20 0.44
CA5B Q9Y2D0 1/20 0.44
ALDH1A1 P00352 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
ALOX15 P16050 1/20 0.43

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
SCHEMBL5921595 0.94 BCL2L1 (0.48) TSHRTP53TPMTSRD5A2CA1
SCHEMBL18190945 0.89 RARA (0.51) TSHRTP53SRD5A2ALDH1A1NPC1
SCHEMBL18190944 0.89 RARA (0.51) TSHRTP53SRD5A2ALDH1A1NPC1
SCHEMBL16652340 0.85 RARB (0.49) TP53ALDH1A1SMN1; SMN2ALOX15
Isophthalic Acid SCHEMBL6752087 0.84 KMO (0.49) CA1CA2CA12CA6CA9
Benzene SCHEMBL27857640 0.81 AKR1C1 (0.44) TSHRALDH1A1SMN1; SMN2AKR1C1
SCHEMBL517831 0.81 CYP2C19 (0.46) TSHRALDH1A1SMN1; SMN2AKR1C1
SCHEMBL5509416 0.81 CYP2C19 (0.46) TSHRALDH1A1SMN1; SMN2AKR1C1
SCHEMBL518477 0.81 CYP2C19 (0.46) TSHRALDH1A1SMN1; SMN2AKR1C1
SCHEMBL20679048 0.81 CYP2C19 (0.46) TSHRALDH1A1SMN1; SMN2AKR1C1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1161497-B1 POLYAMIDE/EMULSION POLYMER BLENDS EASTMAN CHEM CO (US) 2003-05-07 EP claimed
CN-109982844-A Composite component 宇部兴产株式会社 2019-07-05 CN disclosed
CN-105719724-B Heat-curing type conductive paste 株式会社则武 2019-05-03 CN disclosed
US-20160377780-A1 OPTICAL REFLECTION FILM Konica Minolta, Inc. (JP) 2016-12-29 US disclosed
US-20150177433-A1 INFRARED SHIELDING FILM Konica Minolta, Inc. (JP) 2015-06-25 US disclosed
EP-2873993-A1 INFRARED-SHIELDING FILM Konica Minolta, Inc. (JP) 2015-05-20 EP disclosed
US-6303257-B1 FOR DEVELOPING AN ELECTROSTATIC LATENT IMAGE FORMED BY ELECTROPHOTOGRAPHY AND THE LIKE RICOH COMPANY LIMITED (JP) 2001-10-16 US disclosed