Isophthalic Acid

Isophthalic Acid

SCHEMBL9868948

O=C(O)c1cccc(C(=O)O)c1.O=C1OCCOC(=O)c2ccc3cc1ccc3c2

nearest known ligand 0.47

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 3/20 0.45
RARG P13631 3/20 0.45
RARA P10276 2/20 0.45
KMO O15229 2/20 0.43
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA6 P23280 1/20 0.42
CA9 Q16790 1/20 0.42
ERN1 O75460 1/20 0.42
AKR1C3 P42330 1/20 0.41
LMNA P02545 1/20 0.41
GAA P10253 1/20 0.41
KEAP1 Q14145 1/20 0.41
CSNK2A1 P68400 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
HPGD P15428 1/20 0.40
HSD17B10 Q99714 1/20 0.40
MEN1 O00255 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
Benzoic Acid SCHEMBL5716307 0.92 DAO (0.47) RARBRARGRARAKMOCSNK2A1
Terephthalic Acid SCHEMBL8151569 0.91 RARB (0.44) RARBRARGRARAKMOCA1
Isophthalic Acid SCHEMBL170729 0.90 KMO (0.48) KMOCA12CA1CA2CA6
SCHEMBL11439076 0.89 RARB (0.50) RARBRARGRARAHPGDHSD17B10
SCHEMBL9272984 0.89 RARB (0.50) RARBRARGRARAERN1MEN1
Terephthalic Acid SCHEMBL11133121 0.87 RARB (0.48) RARBRARGRARAHPGDHSD17B10
SCHEMBL3263009 0.87 RARB (0.50) RARBRARGRARAHPGDHSD17B10
Isophthalic Acid SCHEMBL374460 0.87 KMO (0.46) KMOCA12CA1CA2CA6
Isophthalic Acid SCHEMBL8500503 0.85 KMO (0.49) KMOCA12CA1CA2CA6
Isophthalic Acid SCHEMBL472832 0.85 KMO (0.47) KMOCA12CA1CA2CA6

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
EP-0437496-A1 MODIFIED POLY(ETHYLENE 2,6-NAPHTHALENEDICARBOXYLATE) HAVING IMPROVED PROCESSABILITY EASTMAN KODAK COMPANY (US) 1991-07-24 EP disclosed
WO-1990003993-A1 MODIFIED POLY(ETHYLENE 2,6-NAPHTHALENEDICARBOXYLATE) HAVING IMPROVED PROCESSABILITY EASTMAN KODAK COMPANY (US) 1990-04-19 WO disclosed