Isophthalic Acid

Isophthalic Acid

SCHEMBL4624459

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

nearest known ligand 0.59

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.52
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52
CA6 P23280 1/20 0.52
CA9 Q16790 1/20 0.52
UNG P13051 1/20 0.52
AKR1C3 P42330 1/20 0.50
KMO O15229 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2C9 P11712 1/20 0.48
HPGD P15428 1/20 0.48
HSD17B10 Q99714 1/20 0.48
DAO P14920 1/20 0.46
TSHR P16473 1/20 0.46
NAPRT Q6XQN6 1/20 0.46
FOLH1 Q04609 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.45
ATM Q13315 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
TTR P02766 1/20 0.44

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 SCHEMBL8125692 1.00 CA12 (0.52) CA12CA1CA2CA6CA9
Isophthalic Acid SCHEMBL4605143 0.98 UNG (0.50) CA12CA1CA2CA6CA9
Isophthalic Acid SCHEMBL4604269 0.94 UNG (0.47) CA12CA1CA2CA6CA9
Terephthalic Acid SCHEMBL7629401 0.91 KMT2A (0.45) CA12CA1CA2CA6CA9
Benzoic Acid SCHEMBL28132510 0.87 TSHR (0.64) AKR1C3KMOCYP2C9DAOTSHR
Benzoic Acid SCHEMBL14890341 0.87 TSHR (0.64) AKR1C3KMOCYP2C9DAOTSHR
Isophthalic Acid SCHEMBL4625677 0.86 UNG (0.43) CA12CA1CA2CA6CA9
Isophthalic Acid SCHEMBL2317989 0.85 CA12 (0.58) CA12CA1CA2CA6CA9
Isophthalic Acid SCHEMBL8468108 0.85 CA12 (0.58) CA12CA1CA2CA6CA9
Isophthalic Acid SCHEMBL7187425 0.83 CA12 (0.56) CA12CA1CA2CA6CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1447217-B1 Heat-sensitive lithographic printing plate FUJIFILM CORP (JP) 2008-06-18 EP disclosed
US-7101649-B2 Heat-sensitive lithographic printing plate FUJI PHOTO FILM CO., LTD. (JP) 2006-09-05 US disclosed
US-20040166431-A1 Heat-sensitive lithographic printing plate FUJIFILM CORPORATION (JP) 2004-08-26 US disclosed
EP-1447217-A2 Heat-sensitive lithographic printing plate FUJI PHOTO FILM CO., LTD. (JP) 2004-08-18 EP disclosed