SCHEMBL2160731

SCHEMBL2160731

CC#CC(C)(C)C(=O)O

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
SCHEMBL20158324 0.77 TSHR (0.40)
SCHEMBL18563434 0.74
SCHEMBL3441187 0.74
SCHEMBL14267401 0.74
SCHEMBL28698946 0.72
SCHEMBL15443318 0.72 ALDH1A1 (0.36)
SCHEMBL28698944 0.72
SCHEMBL15442768 0.72 ALDH1A1 (0.36)
SCHEMBL18118488 0.71
SCHEMBL17974800 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 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4536356-A1 PYRIDINAMINE DERIVATIVES AND THEIR USE AS POTASSIUM CHANNEL MODULATORS Xenon Pharmaceuticals Inc. (CA) 2025-04-16 EP disclosed
US-20240101531-A1 PYRIDINAMINE DERIVATIVES AND THEIR USE AS POTASSIUM CHANNEL MODULATORS XENON PHARMACEUTICALS INC. (CA) 2024-03-28 US disclosed
WO-2023239729-A1 PYRIDINAMINE DERIVATIVES AND THEIR USE AS POTASSIUM CHANNEL MODULATORS XENON PHARMACEUTICALS INC. (CA) 2023-12-14 WO disclosed
WO-2023239729-A1 PYRIDINAMINE DERIVATIVES AND THEIR USE AS POTASSIUM CHANNEL MODULATORS XENON PHARMACEUTICALS INC. (CA) 2023-12-14 WO disclosed
US-10326138-B2 Charge storage material, electrode active material and secondary battery WASEDA UNIVERSITY (JP) 2019-06-18 US disclosed
US-10164258-B2 Fused-ring quinone-substituted polynorbornene, electrode active material and secondary battery WASEDA UNIVERSITY (JP) 2018-12-25 US disclosed
US-20180334436-A1 TETRAHYDROISOQUINOLINE DERIVATIVES VIIV HEALTHCARE UK LIMITED (GB) 2018-11-22 US disclosed
EP-3383866-A1 TETRAHYDROISOQUINOLINE DERIVATIVES ViiV Healthcare UK Limited (GB) 2018-10-10 EP disclosed
US-9871253-B2 Ion-conductive fused-ring quinone polymer, electrode active material and secondary battery WASEDA UNIVERSITY (JP) 2018-01-16 US disclosed
CN-106062031-B Tetracyanoanthraquinone dimethane polymers and uses thereof 赢创德固赛有限公司 2018-01-05 CN disclosed
US-7985502-B2 Containing formic ester additive; cycling properties, electrical capacity, storage during charging UBE INDUSTRIES, LTD. (JP) 2011-07-26 US disclosed
EP-1729365-B1 NON-AQUEOUS ELECTROLYTE SOLUTION AND LITHIUM SECONDARY BATTERY USING THE SAME UBE INDUSTRIES (JP) 2010-12-22 EP disclosed
US-20100273828-A1 4-(4-PYRIDINYL)-BENZAMIDES AND THEIR USE AS ROCK ACTIVITY MODULATORS ABBVIE DEUTSCHLAND GMBH & CO KG (DE) 2010-10-28 US disclosed
US-20080241704-A1 Nonaqueous Electrolyte Solution and Lithium Secondary Battery Using Same UBE INDUSTRIES, LTD (JP) 2008-10-02 US disclosed
EP-1729365-A1 NONAQUEOUS ELECTROLYTE SOLUTION AND LITHIUM SECONDARY BATTERY USING SAME Ube Industries, Ltd. (JP) 2006-12-06 EP disclosed
US-20040097728-A1 Method for producing anellated tetrahydro-{1h}-triazoles BASF AKTIENGESELLSCHAFT (DE) 2004-05-20 US disclosed
US-6737544-B1 HEATING ABOVE MELTING POINT BASF AKTIENGESELLSCHAFT (DE) 2004-05-18 US disclosed
US-6528455-B1 Post or preemergence herbicides such as 3-(4-chloro-2-fluoro -5-(1-methoxycarbonyl-1-vinyloxy)phenyl)-1-methyl-6-trifluoro methyl-2,4-pyrimidinedione BASF AKTIENGESELLSCHAFT (DE) 2003-03-04 US disclosed
US-6150303-A Substituted 3-phenylisoxazolines BASF AKTIENGESELLSCHAFT (DE) 2000-11-21 US disclosed
US-4500345-A IOSTEMERGENCE AND PREEMERGENCE HERBICIDES SHELL OIL COMPANY (US) 1985-02-19 US disclosed