SCHEMBL686751

SCHEMBL686751

CC(C)(C)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
Nitrous Acid SCHEMBL28779400 0.85 CA1 (0.33)
Carbamic Acid SCHEMBL28424909 0.81 MCL1 (0.40)
SCHEMBL9535784 0.77
SCHEMBL17998202 0.77 ALDH1A1 (0.38)
SCHEMBL1060577 0.74
SCHEMBL12824170 0.74 ALDH1A1 (0.30)
SCHEMBL812624 0.72
SCHEMBL27366700 0.72
SCHEMBL6135167 0.72
SCHEMBL13263352 0.72 ALDH1A1 (0.33)

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 391 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119638932-A Polyamide synthesized by participation of carbon dioxide and preparation method thereof 中国石油化工股份有限公司 2025-03-18 CN claimed
CN-119505042-A Synthesis method of aminated polyethylene 陕西师范大学 2025-02-25 CN claimed
CN-114957614-B Method for amination of hydrocarbon bond of hybrid chain polymer main chain promoted by visible light 西安交通大学 2023-08-15 CN claimed
CN-114891135-B Method for preparing poly-alkene containing polar oxygen function by carbon-hydrogen bond oxidation of polyolefin chain under iron catalysis 西安交通大学 2023-03-07 CN claimed
CN-115232231-A Method for preparing oxime ether functional group-containing olefin by imidizing carbon-hydrogen bond of polyolefin chain under catalysis of inorganic salt 西安交通大学 2022-10-25 CN claimed
CN-114163629-B Method for alkylating carbon-hydrogen bonds of polyether, polyethylene glycol and polyether polyol chains under iron catalysis 西安交通大学 2022-09-09 CN claimed
CN-114957614-A Visible light-promoted method for amination of hetero-chain polymer main chain carbon-hydrogen bond 西安交通大学 2022-08-30 CN claimed
CN-114957518-A Method for preparing polar functional group-containing olefin by iron-catalyzed polyolefin chain carbon-hydrogen bond alkylation 西安交通大学 2022-08-30 CN claimed
CN-114891135-A Method for preparing poly-alkene containing polar oxygen function by carbon-hydrogen bond oxidation of polyolefin chain under iron catalysis 西安交通大学 2022-08-12 CN claimed
CN-113651681-B Method for preparing aldehyde/ketone by breaking C-C bond 中山大学 2022-07-22 CN claimed
CN-114163629-A Method for alkylating carbon-hydrogen bonds of polyether, polyethylene glycol and polyether polyol chains under iron catalysis 西安交通大学 2022-03-11 CN claimed
CN-113651681-A Method for preparing aldehyde/ketone by breaking C-C bond 中山大学 2021-11-16 CN claimed
CN-113651729-A Preparation method of iron-catalyzed 4-aminoalcohol 西安交通大学 2021-11-16 CN claimed
CN-113321579-A Oxidative degradation method of aryl-containing polymer and application thereof 中山大学 2021-08-31 CN claimed
CN-113277936-A Method for preparing aromatic acid by oxidation reaction of 1, 2 and 3-stage alkyl substituted aromatic compounds under catalysis of iron 西安交通大学 2021-08-20 CN claimed
CN-104371054-A Preparation method of high-molecular-weight anionic polyacrylamide ANHUI TIANRUN CHEMICALS CO LTD 2015-02-25 CN claimed
EP-1242353-A1 PROCESS FOR THE RECOVERY AND RECYCLE OF D-TARTARIC ACID BASF AKTIENGESELLSCHAFT (DE) 2002-09-25 EP claimed
WO-2001047856-A1 PROCESS FOR THE RECOVERY AND RECYCLE OF D-TARTARIC ACID BASF AKTIENGESELLSCHAFT (DE) 2001-07-05 WO claimed
JP-1056655-A None JP disclosed
US-4136156-A HYDROGEN CYANIDE, HYDROGENATION CATALYSTS E. I. DU PONT DE NEMOURS AND COMPANY (US) 1979-01-23 US disclosed