Isophthalic Acid

Isophthalic Acid

SCHEMBL25202017

O=C([O-])c1cccc(C(=O)[O-])c1.O=C([O-])c1cccc(C(=O)[O-])c1.[Zr+4]

nearest known ligand 0.59

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Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA2 P00918 11/20 0.59
CA4 P22748 1/20 0.59
ATM Q13315 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
USP2 O75604 1/20 0.45
CA1 P00915 10/20 0.44
CES2 O00748 2/20 0.41
CES1 P23141 2/20 0.41
CA12 O43570 1/20 0.41
CA6 P23280 1/20 0.41
CA9 Q16790 1/20 0.41
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 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
Isophthalic Acid SCHEMBL11292198 0.94 CA2 (0.59) CA2CA4ATMTDP1L3MBTL1
Isophthalic Acid SCHEMBL106980 0.94 CA2 (0.67) CA2CA4ATMTDP1L3MBTL1
Isophthalic Acid SCHEMBL4450604 0.94 CA2 (0.59) CA2CA4ATMTDP1L3MBTL1
Isophthalic Acid SCHEMBL23035004 0.94 CA2 (0.59) CA2CA4ATMTDP1L3MBTL1
Isophthalic Acid SCHEMBL6264265 0.94 CA2 (0.59) CA2CA4ATMTDP1L3MBTL1
Isophthalic Acid SCHEMBL105996 0.94 CA2 (0.59) CA2CA4ATMTDP1L3MBTL1
Isophthalic Acid SCHEMBL161261 0.94 CA2 (0.59) CA2CA4ATMTDP1L3MBTL1
Isophthalic Acid SCHEMBL23035003 0.94 CA2 (0.59) CA2CA4ATMTDP1L3MBTL1
Isophthalic Acid SCHEMBL3684094 0.94 CA2 (0.59) CA2CA4ATMTDP1L3MBTL1
Isophthalic Acid SCHEMBL995238 0.94 CA2 (0.59) CA2CA4ATMTDP1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115260002-B Adsorption separation application of metal organic framework material in borneol/isoborneol mixture 北京工业大学 2023-10-20 CN disclosed
WO-2023090993-A1 METHOD FOR PRODUCING CATALYST PETROLIAM NASIONAL BERHAD (PETRONAS) (MY) 2023-05-25 WO disclosed
CN-115260002-A Application of metal organic framework material in adsorption separation of borneol/isoborneol mixture 北京工业大学 2022-11-01 CN disclosed