Itaconate

Itaconate

SCHEMBL7645336

C=C(CC(=O)O)C(=O)O.NCCCCCCN

nearest known ligand 0.68

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 2/20 0.56
HSD17B10 Q99714 1/20 0.56
LMNA P02545 3/20 0.50
THRB P10828 2/20 0.50
KMT2A Q03164 2/20 0.50
MEN1 O00255 1/20 0.50
ALDH1A1 P00352 1/20 0.50
PLG P00747 1/20 0.50
SLC6A2 P23975 1/20 0.50
RECQL P46063 1/20 0.50
SLC6A3 Q01959 1/20 0.50
CYP2D6 P10635 1/20 0.46
NFKB1 P19838 1/20 0.46
BLM P54132 3/20 0.44
NPSR1 Q6W5P4 2/20 0.44
TSHR P16473 2/20 0.42
GABRR3 A8MPY1 1/20 0.42
GABRP O00591 1/20 0.42
GABRD O14764 1/20 0.42
HDAC3 O15379 1/20 0.42

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 SCHEMBL31537594 1.00 ALOX15 (0.56) ALOX15HSD17B10LMNATHRBKMT2A
Itaconate SCHEMBL31392902 1.00 ALOX15 (0.56) ALOX15HSD17B10LMNATHRBKMT2A
Itaconate SCHEMBL28033459 0.88 ALOX15 (0.62) ALOX15HSD17B10LMNATHRBKMT2A
Itaconate SCHEMBL28139964 0.88 ALOX15 (0.48) ALOX15HSD17B10KMT2AMEN1ALDH1A1
Itaconate SCHEMBL11873917 0.84 ALOX15 (0.54) ALOX15HSD17B10LMNATHRBKMT2A
Itaconate SCHEMBL5875297 0.84 ALOX15 (0.58) ALOX15HSD17B10LMNATHRBKMT2A
Itaconate SCHEMBL21630414 0.84 ALOX15 (0.58) ALOX15HSD17B10LMNATHRBKMT2A
Itaconate SCHEMBL27584099 0.83 ALOX15 (0.68) ALOX15HSD17B10LMNATSHRGRIK1
Itaconate SCHEMBL21523 0.83
Itaconate SCHEMBL29886131 0.83

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115716851-B Barium-containing DOPO derivative type flame retardant for flame retardant polyamide and method thereof 浙江理工大学 2025-03-04 CN claimed
EP-4223278-A2 AMINE-BASED REACTION PRODUCTS AS FUNCTIONAL ADDITIVES Henkel AG & Co. KGaA (DE) 2023-08-09 EP disclosed
EP-3826607-B1 AMINE-BASED REACTION PRODUCTS AS FUNCTIONAL ADDITIVES HENKEL AG & CO KGAA (DE) 2023-05-24 EP disclosed
EP-3826607-A1 AMINE-BASED REACTION PRODUCTS AS FUNCTIONAL ADDITIVES Henkel AG & Co. KGaA (DE) 2021-06-02 EP disclosed
WO-2020020710-A1 AMINE-BASED REACTION PRODUCTS AS FUNCTIONAL ADDITIVES HENKEL AG & CO. KGAA (DE) 2020-01-30 WO disclosed
CN-100391993-C Carbamide and water soluble or water dispersant polymer salts BASF AG (DE) 2008-06-04 CN disclosed
US-6407158-B1 NEUTRALIZED PYRROLIDONE POLYMER CONTAINING ITACONIC ACID AND DIAMINE MONOMERS; COSMETICS, SHAMPOO BASF AKTIENGESELLSCHAFT (DE) 2002-06-18 US disclosed
CN-1269374-A Carbamide and water soluble or water dispersant polymer salts BASF AG (DE) 2000-10-11 CN disclosed
US-6036962-A POLYAMIDELACTAM COPOLYMERS WITH SULFONATE GROUPS BASF AKTIENGESELLSCHAFT (DE) 2000-03-14 US disclosed
US-4420608-A MOLDING MATERIALS STANDARD OIL COMPANY (INDIANA) (US) 1983-12-13 US disclosed
US-4418189-A CYCLIZED, MOLDINGS STANDARD OIL COMPANY (INDIANA) (US) 1983-11-29 US disclosed