SCHEMBL8613642

SCHEMBL8613642

C=CC(=O)OC(C)COC(=O)Cl

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 8/20 0.55
HPGD P15428 1/20 0.36
ALDH1A1 P00352 4/20 0.35
TP53 P04637 3/20 0.35
HIF1A Q16665 3/20 0.35
CYP3A4 P08684 2/20 0.35
HSD17B10 Q99714 1/20 0.35
MAPK1 P28482 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
THRB P10828 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
SCHEMBL268430 0.86 TSHR (0.73) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL30589890 0.86 TSHR (0.73) TSHRHPGDALDH1A1TP53HIF1A
Ethylene SCHEMBL8565034 0.85 TSHR (0.70) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL7994441 0.85 TSHR (0.59) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL15495109 0.85 TSHR (0.59) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL22143546 0.85 TSHR (0.44) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL3925808 0.83 TSHR (0.62) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL6840513 0.83 TSHR (0.62) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL2612017 0.83 TSHR (0.57) TSHRHPGDALDH1A1TP53HIF1A
Propene SCHEMBL16859720 0.83 TSHR (0.68) TSHRHPGDALDH1A1TP53HIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0667339-B1 Novel unsaturated peroxides, polymeric peroxides derived therefrom and their uses ATOCHEM NORTH AMERICA ELF (US) 1998-05-06 EP disclosed
US-5494988-A FREE RADICAL INITIATORS AS MONOMERS; CROSSLINKING UNSATURATED POLYESTERS; ADDITION, GRAFT AND BLOCK POLYMERIZATION; COMPATIBILIZING BLENDS ELF ATOCHEM NORTH AMERICA, INC. (US) 1996-02-27 US disclosed
US-5489699-A USED AS FREE RADICAL GENERATOR, POLYMERIZING ETHYNICALLY UNSATURATED MONOMERS, CURING AGENT, RHEOLOGICAL MODIFIER,AND FOR GRAFTING AND COMPATIBILIZING POLYMER BLEND ELFATOCHEM NORTH AMERICA, INC. (US) 1996-02-06 US disclosed
US-5475072-A Curing; crosslinking; modifiying; grafting; compatibilizing ELF ATOCHEM NORTH AMERICA, INC. (US) 1995-12-12 US disclosed
EP-0667339-A1 Novel unsaturated peroxides, polymeric derived therefrom and their uses ELF ATOCHEM NORTH AMERICA, INC. (US) 1995-08-16 EP disclosed