Itaconate

Itaconate

SCHEMBL3201278

C=C(CC(=O)O)C(=O)O.C=Cc1ccccc1

nearest known ligand 0.57

Full drug profile on Sugi Atlas →

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.57
HSD17B10 Q99714 1/20 0.57
ALDH1A1 P00352 3/20 0.52
TSHR P16473 1/20 0.52
RECQL P46063 1/20 0.43
HAO1 Q9UJM8 1/20 0.41
PAM P19021 2/20 0.40
AKR1C3 P42330 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
HDAC3 O15379 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
AKR1C1 Q04828 1/20 0.36
TGM2 P21980 1/20 0.36

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
Itaconate SCHEMBL6572666 0.96 ALOX15 (0.53) ALOX15HSD17B10ALDH1A1TSHRRECQL
Itaconate SCHEMBL9173034 0.91 ALOX15 (0.47) ALOX15HSD17B10ALDH1A1TSHRRECQL
Styrene SCHEMBL26133544 0.86 ALDH1A1 (0.64) ALDH1A1TSHRRECQLHAO1PAM
Itaconate SCHEMBL10704371 0.85 ALOX15 (0.46) ALOX15HSD17B10ALDH1A1TSHRRECQL
Itaconate SCHEMBL7058781 0.83 ALOX15 (0.44) ALOX15HSD17B10ALDH1A1TSHRRECQL
Styrene SCHEMBL27678635 0.83 ALDH1A1 (0.54) ALOX15HSD17B10ALDH1A1TSHRRECQL
Styrene SCHEMBL18587738 0.82 AKR1C3 (0.47) ALOX15ALDH1A1TSHRRECQLAKR1C3
Styrene SCHEMBL238870 0.81 ALDH1A1 (0.52) ALDH1A1TSHRRECQLHAO1PAM
Styrene SCHEMBL3223911 0.81 ALDH1A1 (0.52) ALOX15HSD17B10ALDH1A1TSHRRECQL
Styrene SCHEMBL597898 0.81 ALDH1A1 (0.52) ALOX15HSD17B10ALDH1A1TSHRRECQL

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 106 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2058373-A2 Organic pigment fine-particle, and method of producing the same FUJIFILM Corporation (JP) 2009-05-13 EP claimed
EP-1046687-A1 Fluorescent ink composition SEIKO EPSON CORPORATION (JP) 2000-10-25 EP claimed
EP-0517539-B1 Impact resistant polymers ROHM & HAAS (US) 1996-12-27 EP claimed
US-5391452-A Polyester toner and developer compositions XEROX CORPORATION (US) 1995-02-21 US claimed
EP-0517539-A1 Impact resistant polymers ROHM AND HAAS COMPANY (US) 1992-12-09 EP claimed
CN-107163377-B A kind of Antibacterial polypropylene composition and preparation method thereof, application 勤业工业(龙南)有限公司 2018-10-09 CN disclosed
CN-107163377-A A kind of Antibacterial polypropylene composition and preparation method thereof, application 浙江帝恒实业有限公司 2017-09-15 CN disclosed
CN-105229502-B Phase retardation film, the circular polarizing disk and image display device for having used the phase retardation film 柯尼卡美能达株式会社 2017-09-15 CN disclosed
EP-2821523-B1 ELECTROMAGNETIC STEEL SHEET WITH INSULATIVE COATING, METHOD FOR PRODUCING SAME, AND COATING AGENT FOR FORMING INSULATIVE COATING JFE STEEL CORP (JP) 2016-07-20 EP disclosed
CN-105229502-A Phase retardation film, the circular polarizing disk employing this phase retardation film and image display device KONICA MINOLTA INC 2016-01-06 CN disclosed
US-8967781-B2 Image recording composition, image recording ink set and recording apparatus FUJI XEROX CO., LTD. (JP) 2015-03-03 US disclosed
EP-2821523-A1 ELECTROMAGNETIC STEEL SHEET WITH INSULATIVE COATING, METHOD FOR PRODUCING SAME, AND COATING AGENT FOR FORMING INSULATIVE COATING JFE Steel Corporation (JP) 2015-01-07 EP disclosed
US-4897329-A INCLUDING A CONDUCTIVE AGENT IN THE PHOTOSENSITIVE LAYER; RESOLUTION; ANTISTATIC AGENTS; ANTISOILANTS FUJI PHOTO FILM CO., LTD. (JP) 1990-01-30 US disclosed
US-4814246-A Light-sensitive photoconductive recording material with light sensitive covering layer for use in manufacturing printing form or printed circuit HOECHST AKTIENGESELLSCHAFT (DE) 1989-03-21 US disclosed
US-4680244-A Light-sensitive recording material for the production of a printing form or printed circuit with photoconductive layer and light-sensitive overlayer HOECHST AKTIENGESELLSCHAFT (DE) 1987-07-14 US disclosed
US-4518668-A Method for preparing a lithographic printing plate FUJI PHOTO FILM CO., LTD. (JP) 1985-05-21 US disclosed
US-4418117-A ACRYLIC ACID-ETHYLENE COPOLYMER AND QUATERNARY AMMONIUM SALT ALLIED PAPER INCORPORATED (US) 1983-11-29 US disclosed
US-4400440-A CROSSLING WITH AMMONIUM ZIRCONYL COMPLEX, NON-STICKING LAYERS ALLIED PAPER INCORPORATED (US) 1983-08-23 US disclosed
US-4379822-A Conductive barrier coat for electrostatic masters ALLIED PAPER, INCORPORATED (US) 1983-04-12 US disclosed
US-4303642-A Corn rootworm control THE DOW CHEMICAL COMPANY (US) 1981-12-01 US disclosed