SCHEMBL2159081

SCHEMBL2159081

COC(=O)C(C)C(C)C

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
SCHEMBL5511881 1.00
SCHEMBL5518792 1.00
SCHEMBL784551 0.87 SMN1; SMN2 (0.52)
SCHEMBL13946795 0.87 SMN1; SMN2 (0.52)
SCHEMBL12391130 0.82 SMN1; SMN2 (0.50)
SCHEMBL5598798 0.80 SMN1; SMN2 (0.48)
SCHEMBL4011787 0.80 SMN1; SMN2 (0.48)
SCHEMBL7123594 0.79
SCHEMBL8871226 0.79
SCHEMBL8498697 0.79

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118146110-A N-difluoromethyl carbonyl compound and preparation method thereof 中山大学附属第一医院 2024-06-07 CN claimed
CN-111801833-B Nonaqueous electrolyte and energy device using same 三菱化学株式会社 2024-07-16 CN disclosed
CN-118146110-A N-difluoromethyl carbonyl compound and preparation method thereof 中山大学附属第一医院 2024-06-07 CN disclosed
CN-111788733-B Nonaqueous electrolyte and power storage device using same 三菱化学株式会社 2024-02-02 CN disclosed
US-20230357207-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OF OCULAR DISORDERS BCP3 PTY LIMITED (AU) 2023-11-09 US disclosed
US-20230348517-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OF OCULAR DISORDERS Azura Ophthalmics Ltd. (IL) 2023-11-02 US disclosed
US-20230250338-A1 COMPOUND AND LIQUID CRYSTAL COMPOSITION THE HONG KONG UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2023-08-10 US disclosed
US-20230174569-A1 PROCESS PER PREPARING (3a,5a)-20-OXOPREGNAN-3-YL GLYCYL-L-VALINATE HYDROCHLORIDE INDUSTRIALE CHIMICA S.R.L. (IT) 2023-06-08 US disclosed
US-20230151024-A1 STING AGONISTIC COMPOUND ONO PHARMACEUTICAL CO., LTD. (JP) 2023-05-18 US disclosed
WO-2023081857-A1 CONDENSED PYRIDAZINE AMINE DERIVATIVES TREATING SCA3 SKYHAWK THERAPEUTICS, INC. (US) 2023-05-11 WO disclosed
US-20070117797-A1 Alkylamino, arylamino, and sulfonamido cyclopentyl amide modulators of chemokine receptor activity MERCK SHARP & DOHME CORP. 2007-05-24 US disclosed
US-20070099096-A1 Dye-containing curable composition, color filter and method of producing thereof FUJIFILM CORPORATION 2007-05-03 US disclosed
US-20070082908-A1 Bicycle pyrazole derivative DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2007-04-12 US disclosed
US-20070077518-A1 Recording layer containing a water-insoluble and alkali-soluble resin and an infrared absorbent, and an organic polymer layer with an arithmetic mean roughness Ra of 0.05 to 0.40 mu m on a face of the plate opposite to the recording layer; long-chain alkyl group-containing polymer matting agent FUJI PHOTO FILM CO., LTD. 2007-04-05 US disclosed
US-20070072096-A1 Negative curable dye-containing composition, color filter, and method of manufacturing the same FUJI PHOTO FILM CO., LTD. 2007-03-29 US disclosed
CN-1938377-A Composition curable by both free-radical photocuring and cationic photocuring KANEGAFUCHI CHEMICAL IND (JP) 2007-03-28 CN disclosed
US-7157481-B2 Isothiazole carboxylic acid amides and the application thereof in order to protect plants BAYER AKTIENGESELLSCHAFT (DE) 2007-01-02 US disclosed
WO-2004078731-A1 QUINOLINE-CARBOXYLIC ACIDS AND THE DERIVATIVES THEREOF, A FOCUSED LIBRARY 'CHEMICAL DIVERSITY RESEARCH INSTITUTE', LTD. (RU) 2004-09-16 WO disclosed
US-6066666-A OPTIONALLY N-SUBSTITUTED 3-MONO- AND DI-SUBSTITUTED 2-PYRROLIDINONES AND THIOLACTAM ANALOGS; TREAT SEIZURES, ANXIETY, AND ENHANCING 4-AMINOBUTYRIC ACID (GABA)-INDUCED CHLORIDE CURRENTS AT GABA RECEPTOR/IONOPHORE COMPLEX WASHINGTON UNIVERSITY (US) 2000-05-23 US disclosed
US-5776959-A Anticonvulsant and anxiolytic lactam and thiolactam derivatives WASHINGTON UNIVERSITY (US) 1998-07-07 US disclosed