SCHEMBL9059985

SCHEMBL9059985

CC(C)(CCO[C]=O)OO[C]=O

nearest known ligand 0.00

⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.

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
SCHEMBL93181 0.74
SCHEMBL18419294 0.72
SCHEMBL3042616 0.70
SCHEMBL7294357 0.68
SCHEMBL10525084 0.67
SCHEMBL3024266 0.65
SCHEMBL93139 0.65 HRH3 (0.30)
SCHEMBL81688 0.65
SCHEMBL406718 0.64
SCHEMBL2111407 0.64

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0472819-B1 Polymeric peroxides derived from hydroxy-hydroperoxides and dihydroxy-dialkyl peroxides and their use ATOCHEM NORTH AMERICA ELF (US) 1996-08-21 EP claimed
EP-0472819-A2 Polymeric peroxides derived from hydroxy-hydroperoxides and dihydroxy-dialkyl peroxides and their use ELF ATOCHEM NORTH AMERICA, INC. (US) 1992-03-04 EP claimed
US-5039754-A Block copolymer;compatibilizing polymer blends and alloy ATOCHEM NORTH AMERICA, INC. (US) 1991-08-13 US claimed
EP-0472819-B1 Polymeric peroxides derived from hydroxy-hydroperoxides and dihydroxy-dialkyl peroxides and their use ATOCHEM NORTH AMERICA ELF (US) 1996-08-21 EP disclosed
EP-0472819-A2 Polymeric peroxides derived from hydroxy-hydroperoxides and dihydroxy-dialkyl peroxides and their use ELF ATOCHEM NORTH AMERICA, INC. (US) 1992-03-04 EP disclosed
US-5039754-A Block copolymer;compatibilizing polymer blends and alloy ATOCHEM NORTH AMERICA, INC. (US) 1991-08-13 US disclosed