SCHEMBL6830271

SCHEMBL6830271

COC(=O)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
SCHEMBL22184345 0.82 CA1 (0.35)
SCHEMBL2907622 0.79
SCHEMBL17634052 0.78 SMN1; SMN2 (0.45)
SCHEMBL20408741 0.78 SMN1; SMN2 (0.35)
SCHEMBL17634041 0.78 SMN1; SMN2 (0.45)
SCHEMBL17638810 0.78 SMN1; SMN2 (0.45)
SCHEMBL11467175 0.78 MEN1 (0.40)
SCHEMBL4955166 0.78 TSHR (0.41)
SCHEMBL17885840 0.77
SCHEMBL966363 0.77

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4260396-A2 ELECTROLYTES FOR LITHIUM-ION BATTERY CELLS WITH VOLUME-CHANGING ANODE PARTICLES Sila Nanotechnologies Inc. (US) 2023-10-18 EP claimed
US-20220190389-A1 ELECTROLYTES FOR LITHIUM-ION BATTERY CELLS WITH VOLUME-CHANGING ANODE PARTICLES SILA NANOTECHNOLOGIES, INC. 2022-06-16 US claimed
WO-2022126139-A2 ELECTROLYTES FOR LITHIUM-ION BATTERY CELLS WITH VOLUME-CHANGING ANODE PARTICLES SILA NANOTECHNOLOGIES INC. (US) 2022-06-16 WO claimed
EP-0727422-B1 Process for producing 3-methyltetrahydrofuran MITSUBISHI GAS CHEMICAL CO (JP) 2002-12-04 EP claimed
EP-0839835-B1 Organometallic catalysts for the polymerisation and copolymerisation of alpha-olefins REPSOL QUIMICA SA (ES) 2000-02-16 EP claimed
US-5618953-A Process for producing 3-methyltetrahydrofuran MITSUBISHI GAS CHEMICAL CO., INC. (JP) 1997-04-08 US claimed
EP-0727422-A1 Process for producing 3-methyltetrahydrofuran MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1996-08-21 EP claimed
JP-10067764-A None JP disclosed
JP-8291157-A None JP disclosed
JP-11080113-A None JP disclosed
JP-8217769-A None JP disclosed
JP-8217768-A None JP disclosed
US-20240322244-A1 LOCALIZED HIGH CONCENTRATION ELECTROLYTE AND LITHIUM-ION BATTERY COMPRISING THE SAME SILA NANOTECHNOLOGIES, INC. 2024-09-26 US disclosed
JP-H08217769-A PRODUCTION OF 3-METHYLTETRAHYDROFURAN MITSUBISHI GAS CHEM CO INC 1996-08-27 JP disclosed
JP-H08217768-A PRODUCTION OF 3-METHYLTETRAHYDROFURAN MITSUBISHI GAS CHEM CO INC 1996-08-27 JP disclosed
EP-0727422-A1 Process for producing 3-methyltetrahydrofuran MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1996-08-21 EP disclosed
EP-0727422-A1 Process for producing 3-methyltetrahydrofuran MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1996-08-21 EP disclosed
WO-1996023803-A1 RUTHENIUM HYDROGENATION CATALYSTS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1996-08-08 WO disclosed
WO-1996023753-A1 IMPROVED PROCESS FOR REDUCTIVE HYDROLYSIS OF NITRILES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1996-08-08 WO disclosed
WO-1996023802-A1 PROCESS FOR THE PREPARATION OF RUTHENIUM HYDROGENATION CATALYSTS AND PRODUCTS THEREOF E.I. DU PONT DE NEMOURS AND COMPANY (US) 1996-08-08 WO disclosed