Isophthalic Acid

Isophthalic Acid

SCHEMBL7159308

Cc1cccc(C)c1.O=C(O)c1cccc(C(=O)O)c1

nearest known ligand 0.64

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.57
POLB P06746 2/20 0.56
TPMT P51580 1/20 0.56
CA12 O43570 1/20 0.56
CA1 P00915 1/20 0.56
CA2 P00918 1/20 0.56
CA6 P23280 1/20 0.56
CA9 Q16790 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.55
ACHE P22303 1/20 0.55
DHODH Q02127 1/20 0.54
HDAC8 Q9BY41 1/20 0.53
HDAC6 Q9UBN7 1/20 0.53
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
HSD17B10 Q99714 2/20 0.53
KDM4E B2RXH2 1/20 0.53
USP2 O75604 1/20 0.53
ALDH1A1 P00352 1/20 0.53
MYC P01106 1/20 0.53

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
SCHEMBL142937 0.93 PARP1 (0.65) PARP1POLBTPMTCA12CA1
Isophthalic Acid SCHEMBL19512128 0.93 TPMT (0.65) POLBTPMTCA12CA1CA2
SCHEMBL14406 0.93 PARP1 (0.65) PARP1POLBTPMTCA12CA1
SCHEMBL29382709 0.93 PARP1 (0.65) PARP1POLBTPMTCA12CA1
Isophthalic Acid SCHEMBL28013380 0.92 POLB (0.54) PARP1POLBTPMTCA12CA1
SCHEMBL6917457 0.91 PARP1 (0.63) PARP1POLBTPMTCA12CA1
Bromide SCHEMBL6113526 0.91 PARP1 (0.63) PARP1POLBTPMTCA12CA1
Iodide SCHEMBL6113184 0.91 PARP1 (0.63) PARP1POLBTPMTCA12CA1
Ammonia Solution, Strong SCHEMBL1667008 0.91 PARP1 (0.63) PARP1POLBTPMTCA12CA1
SCHEMBL6910112 0.91 PARP1 (0.63) PARP1POLBTPMTCA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103121941-B Method for washing crude terephthalic acid filter cake CHINA PETROLEUM & CHEMICAL 2015-06-10 CN claimed
CN-103121937-B Method for removing acetic acid in crude isophthalic acid filter cakes CHINA PETROLEUM & CHEMICAL 2015-04-08 CN claimed
CN-103121941-B Method for washing crude terephthalic acid filter cake CHINA PETROLEUM & CHEMICAL 2015-06-10 CN disclosed
CN-103121937-B Method for removing acetic acid in crude isophthalic acid filter cakes CHINA PETROLEUM & CHEMICAL 2015-04-08 CN disclosed
US-6531704-B2 Such as enhanced catalytic performance using catalyst compositions activated in an electromagnetic field; use in efficient production of hydrogen, for example NANOPRODUCTS CORPORATION 2003-03-11 US disclosed
US-6267864-B1 USING CATALYST; APPLYING ELECTROMAGNETIC WAVES NANOMATERIALS RESEARCH CORPORATION 2001-07-31 US disclosed
US-6214195-B1 USING CATALYST; EXPOSURE TO ELECTROMAGNETIC WAVES NANOMATERIALS RESEARCH CORPORATION 2001-04-10 US disclosed
US-4046782-A OXIDATION OF ETHYLENE AND METHYL AROMATIC COMPOUND IN LIQUID PHASE KOLLAR JOHN 1977-09-06 US disclosed