Isophthalic Acid

Isophthalic Acid

SCHEMBL6904865

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

nearest known ligand 0.50

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.49
MRGPRX4 Q96LA9 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
TP53 P04637 1/20 0.48
PKM P14618 1/20 0.48
NFKB1 P19838 1/20 0.48
NFKB2 Q00653 1/20 0.48
RELA Q04206 1/20 0.48
UNG P13051 1/20 0.44
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA6 P23280 1/20 0.44
CA9 Q16790 1/20 0.44
NR1H4 Q96RI1 1/20 0.43
NPC1 O15118 1/20 0.43
MITF O75030 1/20 0.43
RAB9A P51151 1/20 0.43
PAX8 Q06710 1/20 0.43
FOLH1 Q04609 1/20 0.43

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 SCHEMBL4217226 0.89 DAO (0.52) KMT2AMRGPRX4SMN1; SMN2TP53PKM
Terephthalic Acid SCHEMBL6906820 0.85 ALDH1A1 (0.50) SMN1; SMN2TP53CA12CA1CA2
Isophthalic Acid SCHEMBL5479826 0.84 KMT2A (0.51) KMT2ATP53NR1H4
Beta-Naphtoic Acid SCHEMBL15021090 0.83 KDM4E (0.51) KMT2AMRGPRX4SMN1; SMN2TP53PKM
Isophthalic Acid SCHEMBL1557618 0.80 KMT2A (0.56) KMT2AMRGPRX4SMN1; SMN2TP53PKM
Isophthalic Acid SCHEMBL8125692 0.80 CA12 (0.52) KMT2ATP53PKMUNGCA12
Isophthalic Acid SCHEMBL4624459 0.80 CA12 (0.52) KMT2ATP53PKMUNGCA12
Isophthalic Acid SCHEMBL7187425 0.79 CA12 (0.56) KMT2ATP53PKMUNGCA12
Isophthalic Acid SCHEMBL2111854 0.79 CA12 (0.56) KMT2ATP53PKMUNGCA12
Isophthalic Acid SCHEMBL9575080 0.79 CA12 (0.60) KMT2AMRGPRX4SMN1; SMN2TP53PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0429311-B1 Polyester bottles ICI PLC (GB) 1998-01-14 EP claimed
US-5529744-A INJECTION MOLDING A THERMOPLASTIC POLYMER WHICH CONTAINS FINE METAL PARTICLES IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1996-06-25 US claimed
US-5419936-A OF A POLYMER CONTAINING METAL PARTICLES WHICH ABSORB RADIATION IN A SPECIFIED WAVELENGTH REGION ICI CHEMICAL INDUSTRIES PLC (GB) 1995-05-30 US claimed
EP-0429311-A2 Polyester bottles IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1991-05-29 EP claimed
EP-0906356-B1 Process for producing a polyester polymer DUPONT TEIJIN FILMS US LTD (US) 2004-11-10 EP disclosed
EP-1082377-A1 METHOD OF PRODUCING A THERMOPLASTIC POLYMER PREFORM AND AN ARTICLE PRODUCED THEREFROM EASTMAN CHEMICAL COMPANY (US) 2001-03-14 EP disclosed
WO-1999061514-A1 METHOD OF PRODUCING A THERMOPLASTIC POLYMER PREFORM AND AN ARTICLE PRODUCED THEREFROM EASTMAN CHEMICAL COMPANY (US) 1999-12-02 WO disclosed
EP-0906356-A1 POLYESTER ARTICLE E.I. DU PONT DE NEMOURS & COMPANY INCORPORATED (US) 1999-04-07 EP disclosed
EP-0429311-B1 Polyester bottles ICI PLC (GB) 1998-01-14 EP disclosed
WO-1997047675-A1 POLYESTER ARTICLE E.I. DU PONT DE NEMOURS AND COMPANY (US) 1997-12-18 WO disclosed
US-5529744-A INJECTION MOLDING A THERMOPLASTIC POLYMER WHICH CONTAINS FINE METAL PARTICLES IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1996-06-25 US disclosed
US-5419936-A OF A POLYMER CONTAINING METAL PARTICLES WHICH ABSORB RADIATION IN A SPECIFIED WAVELENGTH REGION ICI CHEMICAL INDUSTRIES PLC (GB) 1995-05-30 US disclosed
EP-0429311-A2 Polyester bottles IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1991-05-29 EP disclosed