SCHEMBL7569637

SCHEMBL7569637

CC(C)(C)CC(C)(C#N)N=NC(C)(C#N)CC(C)(C)C.CC(C=O)CC#N

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
SCHEMBL527689 0.76
SCHEMBL295985 0.76
SCHEMBL295986 0.76
SCHEMBL10598798 0.70
SCHEMBL10598800 0.70
SCHEMBL28880783 0.69
SCHEMBL11625417 0.67
SCHEMBL18762331 0.66
SCHEMBL27560862 0.63
SCHEMBL11625420 0.62

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0914357-B1 PROCESS FOR HALOGENATION OF ISOMONOOLEFIN/PARA-ALKYLSTYRENE COPOLYMERS EXXONMOBIL CHEM PATENTS INC (US) 2002-09-11 EP claimed
EP-0914357-A2 PROCESS FOR HALOGENATION OF ISOMONOOLEFIN/PARA-ALKYLSTYRENE COPOLYMERS EXXON CHEMICAL PATENTS INC. (US) 1999-05-12 EP claimed
WO-1998003563-A1 PROCESS FOR HALOGENATION OF ISOMONOOLEFIN/PARA-ALKYLSTYRENE COPOLYMERS EXXON CHEMICAL PATENTS INC. (US) 1998-01-29 WO claimed
US-5670582-A COPOLYMERIZATION AND BROMINATION AND OXIDATION WITH HYDROGEN PEROXIDE EXXON CHEMICAL PATENTS INC. (US) 1997-09-23 US claimed