Itaconate

Itaconate

SCHEMBL5577519

C=C(CC(=O)O)C(=O)O.C=CC(=O)OCCCC

nearest known ligand 0.69

Full drug profile on Sugi Atlas →

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 8/20 0.69
HPGD P15428 1/20 0.69
HSD17B10 Q99714 2/20 0.53
ALOX15 P16050 1/20 0.53
ALDH1A1 P00352 4/20 0.50
CYP3A4 P08684 1/20 0.50
ATM Q13315 1/20 0.49
HCAR2 Q8TDS4 3/20 0.47
MAPT P10636 1/20 0.42
RAB9A P51151 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
TP53 P04637 2/20 0.42
HIF1A Q16665 2/20 0.42
THRB P10828 3/20 0.40

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 SCHEMBL6556844 0.96 TSHR (0.63) TSHRHPGDHSD17B10ALOX15ALDH1A1
Itaconate SCHEMBL27779036 0.92 TSHR (0.58) TSHRHPGDHSD17B10ALOX15ALDH1A1
Itaconate SCHEMBL6247056 0.91 TSHR (0.56) TSHRHPGDHSD17B10ALOX15ALDH1A1
Itaconate SCHEMBL29113536 0.89 TSHR (0.55) TSHRHPGDHSD17B10ALOX15ALDH1A1
Itaconate SCHEMBL28107660 0.89 ATM (0.65) TSHRHPGDHSD17B10ALOX15ALDH1A1
Itaconate SCHEMBL28562019 0.87 TSHR (0.52) TSHRHPGDHSD17B10ALOX15ALDH1A1
Itaconate SCHEMBL9173619 0.87 TSHR (0.52) TSHRHPGDHSD17B10ALOX15ALDH1A1
SCHEMBL1615353 0.87 TSHR (0.73) TSHRHPGDHSD17B10ALDH1A1CYP3A4
SCHEMBL350802 0.87 TSHR (0.73) TSHRHPGDHSD17B10ALDH1A1CYP3A4
SCHEMBL719063 0.86 TSHR (0.71) TSHRHPGDHSD17B10ALDH1A1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7214463-B2 Toner processes XEROX CORPORATION (US) 2007-05-08 US claimed
US-20060166122-A1 Toner processes XEROX CORPORATION 2006-07-27 US claimed
CN-111566132-B Process for producing hydrogenated conjugated diene polymer latex 日本瑞翁株式会社 2023-10-27 CN disclosed
US-7214463-B2 Toner processes XEROX CORPORATION (US) 2007-05-08 US disclosed
US-20060166122-A1 Toner processes XEROX CORPORATION 2006-07-27 US disclosed
US-4273135-A IMPROVED ELECTROCONDUCTIVE INTERFACE MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1981-06-16 US disclosed