Terephthalic Acid

Terephthalic Acid

SCHEMBL29145288

COc1cc2c([nH]c3ccccc32)c(C)c1OC.O=C(O)c1ccc(C(=O)O)cc1

nearest known ligand 0.53

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
TUBB4A P04350 11/20 0.53
TUBB P07437 11/20 0.53
TUBA3C P0DPH7 11/20 0.53
TUBA1B P68363 11/20 0.53
TUBA4A P68366 11/20 0.53
TUBB4B P68371 11/20 0.53
TUBB3 Q13509 11/20 0.53
TUBB2A Q13885 11/20 0.53
TUBB8 Q3ZCM7 11/20 0.53
TUBA3E Q6PEY2 11/20 0.53
TUBA1A Q71U36 11/20 0.53
TUBA1C Q9BQE3 11/20 0.53
TUBB6 Q9BUF5 11/20 0.53
TUBB2B Q9BVA1 11/20 0.53
TUBB1 Q9H4B7 11/20 0.53
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
ALDH1A1 P00352 2/20 0.48
KDM4E B2RXH2 1/20 0.48
LMNA P02545 1/20 0.48

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
SCHEMBL28281488 0.88 MAPT (0.54) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL30782023 0.81 TUBB4A (0.47) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
Mukoeic Acid SCHEMBL29460309 0.80 FTO (0.56) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
Terephthalic Acid SCHEMBL29145293 0.80 KDM4E (0.60) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL29145291 0.80 TUBB4A (0.50) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL28281484 0.78 KDR (0.56) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL29145284 0.77 FTO (0.56) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL30162015 0.76 PARP14 (0.55) MEN1KMT2AALDH1A1KDM4ELMNA
Terephthalic Acid SCHEMBL29145304 0.75 HPGD (0.49) MEN1KMT2AALDH1A1KDM4ELMNA
SCHEMBL29145269 0.75 KIF11 (0.65) MEN1KMT2AALDH1A1KDM4ELMNA

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-117477036-B Additive, electrolyte and lithium ion battery 蓝固(淄博)新能源科技有限公司 2024-03-05 CN disclosed
CN-117477036-A Additive, electrolyte and lithium ion battery 蓝固(淄博)新能源科技有限公司 2024-01-30 CN disclosed