Isophthalic Acid

Isophthalic Acid

SCHEMBL7091786

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

nearest known ligand 0.46

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.46
NPC1 O15118 1/20 0.39
POLB P06746 1/20 0.39
CYP2C9 P11712 1/20 0.39
RAB9A P51151 1/20 0.39
MRGPRX4 Q96LA9 2/20 0.39
TP53 P04637 1/20 0.39
PKM P14618 1/20 0.39
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
LTB4R Q15722 1/20 0.39
UNG P13051 1/20 0.38
PLA2G4B P0C869 1/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA6 P23280 1/20 0.38
CA9 Q16790 1/20 0.38

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
SCHEMBL1130005 0.81 KMT2A (0.42) KMT2ANPC1POLBCYP2C9RAB9A
Isophthalic Acid SCHEMBL6904865 0.75 KMT2A (0.49) KMT2ANPC1RAB9AMRGPRX4TP53
Isophthalic Acid SCHEMBL1483205 0.74 KMT2A (0.61) KMT2APOLBCYP2C9MRGPRX4TP53
Isophthalic Acid SCHEMBL5479826 0.74 KMT2A (0.51) KMT2ATP53LTB4RPLA2G4BNR1H4
Isophthalic Acid SCHEMBL11211334 0.73 KMT2A (0.46) KMT2ANPC1POLBCYP2C9RAB9A
Isophthalic Acid SCHEMBL4624459 0.72 CA12 (0.52) KMT2ACYP2C9TP53PKMUNG
Isophthalic Acid SCHEMBL8125692 0.72 CA12 (0.52) KMT2ACYP2C9TP53PKMUNG
Isophthalic Acid SCHEMBL2111854 0.72 CA12 (0.56) KMT2APOLBCYP2C9TP53PKM
Isophthalic Acid SCHEMBL7187425 0.72 CA12 (0.56) KMT2APOLBCYP2C9TP53PKM
Isophthalic Acid SCHEMBL9575080 0.72 CA12 (0.60) KMT2APOLBCYP2C9MRGPRX4TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6653486-B2 Photopolymerizable; vinyl ether, photoinitiator, iodinium salt, and visible light sensitizer; dentistry, adhesives CURATORS OF THE UNIVERSITY OF MISSOURI 2003-11-25 US disclosed
US-20030119931-A1 Novel spiroorthocarbonates THE CURATORS OF THE UNIVERSITY OF MISSOURI 2003-06-26 US disclosed
US-6458865-B2 FOR DENTAL RESTORATION MATERIAL CURATORS OF THE UNIVERSITY OF MISSOURI 2002-10-01 US disclosed
EP-1165627-A4 PHOTOPOLYMERIZABLE VINYL ETHER BASED MONOMERIC FORMULATIONS AND POLYMERIZABLE COMPOSITIONS WHICH MAY INCLUDE CERTAIN NOVEL SPIROORTHOCARBONATES UNIV MISSOURI (US) 2002-03-20 EP disclosed
US-20020013380-A1 PHOTOPOLYMERIZABLE VINYL ETHER BASED MONOMERIC FORMULATIONS AND POLYMERIZABLE COMPOSITIONS WHICH MAY INCLUDE CERTAIN NOVEL SPIROORTHOCARBONATES NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2002-01-31 US disclosed
EP-1165627-A1 PHOTOPOLYMERIZABLE VINYL ETHER BASED MONOMERIC FORMULATIONS AND POLYMERIZABLE COMPOSITIONS WHICH MAY INCLUDE CERTAIN NOVEL SPIROORTHOCARBONATES THE CURATORS OF THE UNIVERSITY OF MISSOURI (US) 2002-01-02 EP disclosed
WO-2000042080-A1 PHOTOPOLYMERIZABLE VINYL ETHER BASED MONOMERIC FORMULATIONS AND POLYMERIZABLE COMPOSITIONS WHICH MAY INCLUDE CERTAIN NOVEL SPIROORTHOCARBONATES THE CURATORS OF THE UNIVERSITY OF MISSOURI (US) 2000-07-20 WO disclosed