Isophthalic Acid

Isophthalic Acid

SCHEMBL28013380

Cc1cccc(C)c1.Cc1ccccc1C.O=C(O)c1cccc(C(=O)O)c1

nearest known ligand 0.55

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.54
SMN1; SMN2 Q16637 1/20 0.53
KMO O15229 1/20 0.50
PARP1 P09874 1/20 0.50
DHODH Q02127 1/20 0.49
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA6 P23280 1/20 0.48
CA9 Q16790 1/20 0.48
TPMT P51580 1/20 0.48
DAO P14920 1/20 0.48
TSHR P16473 1/20 0.48
NAPRT Q6XQN6 1/20 0.48
MRGPRX4 Q96LA9 1/20 0.48
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
KCNK3 O14649 1/20 0.47
KCNK9 Q9NPC2 1/20 0.47
KDM4E B2RXH2 1/20 0.47

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 SCHEMBL7159308 0.92 PARP1 (0.57) POLBSMN1; SMN2KMOPARP1DHODH
Terephthalic Acid SCHEMBL28419061 0.90 SMN1; SMN2 (0.56) POLBSMN1; SMN2PARP1TPMTDAO
Benzoic Acid SCHEMBL26106958 0.88 DAO (0.64) POLBSMN1; SMN2KMOPARP1TPMT
Benzoic Acid SCHEMBL28611216 0.88 DAO (0.64) POLBSMN1; SMN2KMOPARP1TPMT
Isophthalic Acid SCHEMBL28470879 0.88 KMO (0.57) POLBSMN1; SMN2KMOPARP1DHODH
Isophthalic Acid SCHEMBL19512128 0.86 TPMT (0.65) POLBSMN1; SMN2KMOCA12CA1
SCHEMBL29382709 0.86 PARP1 (0.65) POLBSMN1; SMN2KMOPARP1CA12
SCHEMBL14406 0.86 PARP1 (0.65) POLBSMN1; SMN2KMOPARP1CA12
SCHEMBL142937 0.86 PARP1 (0.65) POLBSMN1; SMN2KMOPARP1CA12
Ammonia Solution, Strong SCHEMBL1667011 0.84 PARP1 (0.63) POLBSMN1; SMN2KMOPARP1CA12

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 5 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-113272364-B Silicone-polyacrylate copolymers, sealants including silicone-polyacrylate copolymers, and related methods 美国陶氏有机硅公司 2023-03-24 CN disclosed
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