SCHEMBL8615632

SCHEMBL8615632

C=CCNC(=O)OC(C)CC(C)(C)OOC(C)(C)C

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.34
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.32
HPGD P15428 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.31
TSHR P16473 1/20 0.31
MAPT P10636 1/20 0.31
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
PKM P14618 1/20 0.30

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
SCHEMBL11841386 0.83 MEN1 (0.35) GAA
SCHEMBL7758027 0.81 HTT (0.34) HTTALDH1A1GAAHPGDSMN1; SMN2
SCHEMBL11841744 0.79 TDP1 (0.44) ALDH1A1GAA
SCHEMBL11417462 0.79 CHRNB2 (0.31)
SCHEMBL9015654 0.78 MEN1 (0.32) GAA
SCHEMBL6471342 0.77 TSHR (0.38) ALDH1A1HPGDSMN1; SMN2TSHR
SCHEMBL9015624 0.77
Hydrochloric Acid SCHEMBL9145929 0.76
SCHEMBL11603119 0.76 SMN1; SMN2 (0.32) HTTSMN1; SMN2TSHRMAPT
SCHEMBL9195771 0.75

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