SCHEMBL5456001

SCHEMBL5456001

C=C(C)OC(=O)C=CC(=O)OC(=C)C

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.55
HSD17B10 Q99714 1/20 0.55
HCAR2 Q8TDS4 5/20 0.43
KEAP1 Q14145 1/20 0.43
NFE2L2 Q16236 1/20 0.43
ALDH1A1 P00352 4/20 0.42
TSHR P16473 1/20 0.42
ATM Q13315 1/20 0.32

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
SCHEMBL5455988 1.00 TDP1 (0.55) TDP1HSD17B10HCAR2KEAP1NFE2L2
SCHEMBL8943894 1.00 TDP1 (0.55) TDP1HSD17B10HCAR2KEAP1NFE2L2
SCHEMBL1014778 0.90 HCAR2 (0.52) TDP1HSD17B10HCAR2KEAP1NFE2L2
SCHEMBL4168638 0.90 HCAR2 (0.52) TDP1HSD17B10HCAR2KEAP1NFE2L2
SCHEMBL14937356 0.87
SCHEMBL14937359 0.87
SCHEMBL864808 0.80
Ether SCHEMBL19924309 0.79 HCAR2 (0.52) TDP1HSD17B10HCAR2ALDH1A1TSHR
SCHEMBL8610770 0.78 ALDH1A1 (0.48) TDP1HSD17B10HCAR2KEAP1NFE2L2
SCHEMBL8595889 0.78

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070293595-A1 INITIATION OF POLYMERIZATION BY HYDROGEN ATOM DONATION E. I. DUPONT DE NEMOURS AND COMPANY (US) 2007-12-20 US disclosed
US-20060111535-A1 Processes including initiation of polymerization by hydrogen atom donation GRIDNEV ALEXEI A 2006-05-25 US disclosed
US-7022792-B2 Initiation of polymerization by hydrogen atom donation E. I. DUPONT DE NEMOURS AND COMPANY (US) 2006-04-04 US disclosed
WO-2005090414-A1 INITIATION OF POLYMERIZATION BY HYDROGEN ATOM DONATION E.I. DUPONT DE NEMOURS AND COMPANY (US) 2005-09-29 WO disclosed
US-20050209418-A1 Initiation of polymerization by hydrogen atom donation E. I. DU PONT DE NEMOURS AND COMPANY 2005-09-22 US disclosed
US-5576054-A ULTRAVIOLET RESISTANT OPAQUE GLASS COATING GENERAL ELECTRIC COMPANY (US) 1996-11-19 US disclosed
EP-0234720-B1 SILICONE RUBBER COMPOSITIONS GENERAL ELECTRIC COMPANY (US) 1991-09-18 EP disclosed
EP-0234720-A1 Silicone rubber compositions GENERAL ELECTRIC COMPANY (US) 1987-09-02 EP disclosed
US-3941741-A POLYSILOXANE GENERAL ELECTRIC COMPANY (US) 1976-03-02 US disclosed