SCHEMBL8740228

SCHEMBL8740228

CC(C)(C)OOC(C)(C)CCC(C)(C)OOC(=O)/C=C/C(=O)OOC(C)(C)CCC(C)(C)OOC(C)(C)C

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.32
TDP1 Q9NUW8 2/20 0.32
ALDH1A1 P00352 1/20 0.32
HSD17B10 Q99714 1/20 0.32
KEAP1 Q14145 1/20 0.31
NFE2L2 Q16236 1/20 0.31
HCAR2 Q8TDS4 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
SCHEMBL8740231 1.00 TSHR (0.32) TSHRTDP1ALDH1A1HSD17B10KEAP1
SCHEMBL8740175 0.93 HCAR2 (0.45) TDP1ALDH1A1KEAP1NFE2L2HCAR2
SCHEMBL28362080 0.80 HCAR2 (0.41) TSHRTDP1ALDH1A1HSD17B10KEAP1
SCHEMBL8740155 0.80 HCAR2 (0.41) TSHRTDP1ALDH1A1HSD17B10KEAP1
SCHEMBL8740204 0.80 HCAR2 (0.41) TSHRTDP1ALDH1A1HSD17B10KEAP1
SCHEMBL7928598 0.79 TSHR (0.41) TSHRTDP1ALDH1A1HSD17B10
SCHEMBL11684164 0.77 CNR1 (0.34)
SCHEMBL11766013 0.77 CNR1 (0.34)
SCHEMBL7930053 0.76 ALDH1A1 (0.30) TSHRTDP1ALDH1A1HSD17B10
SCHEMBL8886527 0.75 TSHR (0.38) TSHRALDH1A1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5644004-A Multi-component ethylenically unsaturated peroxyesters ELF ATOCHEM NORTH AMERICA, INC. (US) 1997-07-01 US disclosed
US-5420173-A Curing unsaturated polyesters and peroxyester compositions ARKEMA INC. 1995-05-30 US disclosed