SCHEMBL564653

SCHEMBL564653

CC1CC(C)(C)CC(OOC(C)(C)C)(OOC(C)(C)C)C1.CCCCOO

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
Tert-Butyl Hydroperoxide SCHEMBL8418848 0.84 ESR1 (0.32)
SCHEMBL21267992 0.84 ESR1 (0.32)
SCHEMBL28289706 0.80 ABCB1 (0.30)
SCHEMBL5485769 0.80
SCHEMBL28289704 0.80 ABCB1 (0.31)
SCHEMBL11241110 0.79
SCHEMBL14651909 0.79
SCHEMBL18409248 0.79 NAAA (0.35)
SCHEMBL21749895 0.79
SCHEMBL13309260 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120035307-A1 PROCESS FOR MAKING STABLIZED POLYMERIC SYSTEMS WITH NANOSTRUCTURES SONG CHENGQIAN (US) 2012-02-09 US disclosed
EP-0665248-B1 A process for sequentially grafting olefin polymer materials and grafted polymers therefrom MONTELL NORTH AMERICA INC (US) 1999-03-31 EP disclosed
US-5539057-A CATALYTIC GRAFT POLYMERIZATION OF OLEFINS WITH VINYL MONOMERS MONTELL NORTH AMERICA INC. (US) 1996-07-23 US disclosed
EP-0665248-A1 A process for sequentially grafting olefin polymer materials and grafted polymers therefrom MONTELL NORTH AMERICA INC. (US) 1995-08-02 EP disclosed
US-5286791-A Impact modified graft copolymer compositions containing broad molecular weight distribution polypropylene HIMONT INCORPORATED (US) 1994-02-15 US disclosed