SCHEMBL527689

SCHEMBL527689

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
SCHEMBL11895541 0.77 TSHR (0.38)
SCHEMBL11895539 0.77 TSHR (0.38)
SCHEMBL7569637 0.76
SCHEMBL1347202 0.74
SCHEMBL14837045 0.74
SCHEMBL1601563 0.74
SCHEMBL14587124 0.72
SCHEMBL991732 0.72
SCHEMBL3034746 0.72
SCHEMBL3021892 0.70

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 106 patents — showing the first 20. 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-0914356-B1 IMPROVED PROCESS FOR HALOGENATING ISOMONOOLEFIN COPOLYMERS EXXONMOBIL CHEM PATENTS INC (US) 2002-01-16 EP claimed
EP-0914357-A2 PROCESS FOR HALOGENATION OF ISOMONOOLEFIN/PARA-ALKYLSTYRENE COPOLYMERS EXXON CHEMICAL PATENTS INC. (US) 1999-05-12 EP claimed
EP-0914356-A1 IMPROVED PROCESS FOR HALOGENATING ISOMONOOLEFIN COPOLYMERS EXXON CHEMICAL PATENTS INC. (US) 1999-05-12 EP claimed
WO-1998003562-A1 IMPROVED PROCESS FOR HALOGENATING ISOMONOOLEFIN COPOLYMERS EXXON CHEMICAL PATENTS INC. (US) 1998-01-29 WO claimed
WO-1998003563-A1 PROCESS FOR HALOGENATION OF ISOMONOOLEFIN/PARA-ALKYLSTYRENE COPOLYMERS EXXON CHEMICAL PATENTS INC. (US) 1998-01-29 WO claimed
US-5681901-A HALOGENATION BY FREE-HALOGEN GENERATED FROM OXIDIZING THE HYDROGEN HALIDE IN SITU EXXON CHEMICAL PATENTS INC. (US) 1997-10-28 US claimed
US-5670582-A COPOLYMERIZATION AND BROMINATION AND OXIDATION WITH HYDROGEN PEROXIDE EXXON CHEMICAL PATENTS INC. (US) 1997-09-23 US claimed
WO-2024147915-A1 ONE-POT PROCESS OF PREPARING THE BORATE THIOL CROSSLINKER AND POLYOLEFIN VITRIMER PREPARED WITH THE SAME ExxonMobil Technology and Engineering Company (US) 2024-07-11 WO disclosed
WO-2024059442-A1 CONTROLLED MOLECULAR WEIGHT DISTRIBUTION OF ISOBUTYLENE-CO-PARAMETHYLSTYRENE ELASTOMER COMPOSITIONS AND METHODS RELATED THERETO EXXONMOBIL CHEMICAL PATENTS INC. (US) 2024-03-21 WO disclosed
EP-2598510-A2 LIGANDS FOR SELECTIVE ASYMMETRIC HYDROFORMYLATION Dr. Reddy's Laboratories Ltd. (IN) 2013-06-05 EP disclosed
US-8354473-B2 Halogenation processes EXXONMOBIL CHEMICAL PATENTS INC. (US) 2013-01-15 US disclosed
WO-2012016147-A2 LIGANDS FOR SELECTIVE ASYMMETRIC HYDROFORMYLATION DR. REDDY'S LABORATORIES LTD. (IN) 2012-02-02 WO disclosed
WO-2012016147-A2 LIGANDS FOR SELECTIVE ASYMMETRIC HYDROFORMYLATION DR. REDDY'S LABORATORIES LTD. (IN) 2012-02-02 WO disclosed
WO-1991018050-A1 HOSE COMPOSITION EXXON CHEMICAL PATENTS INC. (US) 1991-11-28 WO disclosed
US-5063268-A Wet traction EXXON CHEMICAL PATENTS INC. (US) 1991-11-05 US disclosed
US-5013793-A Vulcanized Polymer Blend Of A Thermoplastic Olefinic Resin And An Elastomeric Halogen-containing Copolymer Of An Isomonoolefin And A Paraalkylstyrene EXXON CHEMICAL PATENTS INC. (US) 1991-05-07 US disclosed
WO-1991004992-A1 FUNCTIONALIZED COPOLYMERS OF PARA-ALKYLSTYRENE/ISOOLEFIN PREPARED BY NUCLEOPHILIC SUBSTITUTION EXXON CHEMICAL PATENTS INC. (US) 1991-04-18 WO disclosed
EP-0344021-A2 Para-alkylstyrene/isoolefin copolymers EXXON CHEMICAL PATENTS INC. (US) 1989-11-29 EP disclosed
US-3984478-A TREATING AN UNSATURATED COMPOUND WITH CARBON MONOXIDE IN A HETEROGENEOUS CATALYST UNIVERSAL OIL PRODUCTS COMPANY (US) 1976-10-05 US disclosed