Itaconate

Itaconate

SCHEMBL6696533

C=C(CC(=O)O)C(=O)O.C=CC(=O)OCC1CO1

nearest known ligand 0.50

Full drug profile on Sugi Atlas →

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.50
ALOX15 P16050 1/20 0.50
ALDH1A1 P00352 5/20 0.44
MGLL Q99685 3/20 0.39
TP53 P04637 3/20 0.37
CYP3A4 P08684 2/20 0.37
TSHR P16473 4/20 0.33
HIF1A Q16665 2/20 0.33

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
SCHEMBL278138 0.87 ALDH1A1 (0.45) HSD17B10ALOX15ALDH1A1MGLLTP53
SCHEMBL1299543 0.85 ALDH1A1 (0.47) ALDH1A1MGLLTP53CYP3A4TSHR
Bicarbonate SCHEMBL28040944 0.84 ALDH1A1 (0.50) HSD17B10ALDH1A1MGLLTP53CYP3A4
SCHEMBL16754766 0.84 ALDH1A1 (0.43) ALDH1A1MGLLTP53CYP3A4
SCHEMBL29850839 0.84 ALDH1A1 (0.53) HSD17B10ALDH1A1MGLLTP53CYP3A4
SCHEMBL17692 0.84
SCHEMBL15082542 0.84
Methacrylic Acid SCHEMBL28135133 0.83 ALDH1A1 (0.60) ALDH1A1MGLLTP53CYP3A4TSHR
Methacrylic Acid SCHEMBL1196219 0.83 ALDH1A1 (0.60) ALDH1A1MGLLTP53CYP3A4TSHR
Succinic Acid SCHEMBL28102002 0.83 ALDH1A1 (0.46) HSD17B10ALDH1A1MGLLTP53CYP3A4

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-9220949-B2 Golf ball compositions TAYLOR MADE GOLF COMPANY, INC. (US) 2015-12-29 US disclosed
US-9199128-B2 Non-ionomeric polymer compositions for golf ball constructions and methods relating thereto ACUSHNET COMPANY (US) 2015-12-01 US disclosed
US-20150005100-A1 NON-IONOMERIC POLYMER COMPOSITIONS FOR GOLF BALL CONSTRUCTIONS AND METHODS RELATING THERETO ACUSHNET COMPANY (US) 2015-01-01 US disclosed
US-20140187354-A1 GOLF BALL COMPOSITIONS TAYLOR MADE GOLF COMPANY, INC. (US) 2014-07-03 US disclosed
US-6790909-B2 INITIATOR FUNCTIONS SUITABLE FOR CATIONIC POLYMERIZATION INTO THE MACROINITIATOR. EXAMPLES OF SUCH INTERESTING INITIATOR FUNCTIONS ARE GROUPS CONTAINING HALOGEN OR SULFONYL CHLORIDE BASF AKTIENGESELLSCHAFT (DE) 2004-09-14 US disclosed
US-20040024145-A1 Graft copolymers, their preparation and their use BASF AKTIENGESELLSCHAFT (DE) 2004-02-05 US disclosed