Itaconate

Itaconate

SCHEMBL7571545

C=C(CC(=O)O)C(=O)O.C=C(Cl)Cl.C=CCOC(=O)C=C

nearest known ligand 0.55

Full drug profile on Sugi Atlas →

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.55
ALOX15 P16050 1/20 0.55
MAPT P10636 1/20 0.39
CACNA1B Q00975 1/20 0.39
APBA1 Q02410 1/20 0.39
TSHR P16473 6/20 0.35
ALDH1A1 P00352 4/20 0.35
TP53 P04637 3/20 0.35
HIF1A Q16665 3/20 0.35
CYP3A4 P08684 3/20 0.35
MAPK1 P28482 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HPGD P15428 1/20 0.33
THRB P10828 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
APP P05067 1/20 0.31

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 SCHEMBL2641437 0.95 HSD17B10 (0.60) HSD17B10ALOX15MAPTCACNA1BAPBA1
1,1-Dichloroethene SCHEMBL1818423 0.84 TSHR (0.46) HSD17B10MAPTCACNA1BAPBA1TSHR
Itaconate SCHEMBL6226414 0.84 HSD17B10 (0.55) HSD17B10ALOX15TSHRALDH1A1TP53
SCHEMBL10939902 0.83 HSD17B10 (0.44) HSD17B10ALOX15MAPTCACNA1BAPBA1
Itaconate SCHEMBL7747257 0.83 HSD17B10 (0.53) HSD17B10ALOX15TSHRALDH1A1TP53
Malonic Acid SCHEMBL8735862 0.82 MAPT (0.48) HSD17B10ALOX15MAPTCACNA1BAPBA1
Itaconate SCHEMBL218838 0.81 HSD17B10 (0.60) HSD17B10ALOX15TSHRALDH1A1TP53
Itaconate SCHEMBL6556844 0.79 TSHR (0.63) HSD17B10ALOX15MAPTTSHRALDH1A1
Itaconate SCHEMBL8029816 0.79 ALOX15 (0.87) HSD17B10ALOX15TSHRALDH1A1MAPK1
Itaconate SCHEMBL6913753 0.78 HSD17B10 (0.60) HSD17B10ALOX15TSHRALDH1A1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0869391-B1 Heat-developable photographic materials FUJI PHOTO FILM CO LTD (JP) 2002-06-26 EP disclosed
US-6027872-A SUPPORT COATED WITH PHOTOSENSITIVE SILVER HALIDE, ORGANIC SILVER SALT, REDUCING AGENT AND A DISULFIDE COMPOUND FOR IMPROVED INFRARED SENSITIVITY FUJI PHOTO FILM CO., LTD. (JP) 2000-02-22 US disclosed
US-6025122-A MATERIAL COMPRISING REDUCIBLE SILVER SALT, REDUCING AGENT, CONTRAST ENHANCER, BINDER, THIOSULFONIC ACID OR ESTER COMPOUND; ULTRAHIGH CONTRAST, LOW FOG, MINIMIZED VARIATION OF PHOTOGRAPHIC CHARACTERISTICS WITH HEAT DEVELOPMENT FUJI PHOTO FILM CO., LTD. (JP) 2000-02-15 US disclosed
EP-0869391-A1 Heat-developable photographic materials FUJI PHOTO FILM CO., LTD. (JP) 1998-10-07 EP disclosed
US-5747237-A SUPPORT WITH PREFOGGED DIRECT POSITIVES EMULSION LAYER WITH SILVER HALIDE SOLVENT AND GRAINS, RHODIUM AND RUTHENIUM SALTS FUJI PHOTO FILM CO., LTD. (JP) 1998-05-05 US disclosed
US-5593811-A Multilayer, sheet-like, photosensitive recording material for the production of printing plates BASF LACKE+FARBEN AKTIENGESELLSCHAFT (DE) 1997-01-14 US disclosed
EP-0340772-B1 POLYESTER FILM USEFUL AS A SUPPORT FOR BRAILLE PRINTING E.I. DU PONT DE NEMOURS AND COMPANY (US) 1992-08-26 EP disclosed
US-5061611-A Polyester support; hydrophobic vinylidene chloride copolymer KONICA CORPORATION (JP) 1991-10-29 US disclosed
US-5035981-A Having a top layer of high-strength, transparent, soluble or swellable polymer containing an antistatic agent of an ethoxylated amine or amide; exposure; development BASF AKTIENGESELLSCHAFT (DE) 1991-07-30 US disclosed
US-4946758-A RELIEF IMAGE FORMING LAYER; HIGH TENSILE STRENGTH POLYMER AND COVERING BASF AKTIENGESELLSCHAFT (DE) 1990-08-07 US disclosed
EP-0340772-A1 Polyester film useful as a support for braille printing E.I. DU PONT DE NEMOURS AND COMPANY (US) 1989-11-08 EP disclosed
US-4002802-A COATING A THERMOPLASTIC RESIN FILM WITH AN AQUEOUS POLYMERIC EMULSION E. I. DU PONT DE NEMOURS AND COMPANY (US) 1977-01-11 US disclosed