SCHEMBL8614980

SCHEMBL8614980

C=CC(=O)OCCC(C)(C)OOC(C)(C)CC

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.50
THRB P10828 4/20 0.50
HPGD P15428 1/20 0.50
ALDH1A1 P00352 4/20 0.46
TP53 P04637 3/20 0.46
HIF1A Q16665 3/20 0.46
CYP3A4 P08684 2/20 0.46
HSD17B10 Q99714 1/20 0.46
MAPK1 P28482 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ATM Q13315 1/20 0.32
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
SCHEMBL8613816 0.88 TSHR (0.47) TSHRTHRBHPGDALDH1A1TP53
SCHEMBL19201572 0.81 TSHR (0.52) TSHRTHRBHPGDALDH1A1TP53
SCHEMBL8965587 0.80 TSHR (0.50) TSHRTHRBHPGDALDH1A1TP53
SCHEMBL23494202 0.80 TSHR (0.55) TSHRTHRBHPGDALDH1A1TP53
SCHEMBL3368716 0.80 TSHR (0.50) TSHRTHRBHPGDALDH1A1TP53
SCHEMBL16681896 0.79 THRB (0.57) TSHRTHRBHPGDALDH1A1TP53
SCHEMBL108963 0.79 TSHR (0.48) TSHRTHRBHPGDALDH1A1TP53
SCHEMBL13160476 0.78 THRB (0.66) TSHRTHRBHPGDALDH1A1TP53
SCHEMBL1015244 0.77 TSHR (0.56) TSHRTHRBHPGDALDH1A1TP53
SCHEMBL8966168 0.77 TSHR (0.56) TSHRTHRBHPGDALDH1A1TP53

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