SCHEMBL514993

SCHEMBL514993

CC(C[C]=O)CC(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
SCHEMBL1067838 0.88
SCHEMBL28365204 0.80
SCHEMBL1069996 0.80
SCHEMBL667574 0.76
SCHEMBL134615 0.76 TSHR (0.36)
SCHEMBL5506344 0.75
SCHEMBL23049074 0.74 TSHR (0.33)
SCHEMBL1904389 0.70
SCHEMBL77900 0.70
SCHEMBL195060 0.69

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 1405 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024089139-A1 DETERGENTS AND CLEANING COMPOSITIONS WITH IMPROVED BLEACHING PERFORMANCE SYMRISE AG (DE) 2024-05-02 WO claimed
EP-3692975-B1 DENTAL MATERIALS WITH IMPROVED SETTING IVOCLAR VIVADENT AG (LI) 2022-05-18 EP claimed
EP-3715387-B1 VINYL CHLORIDE-BASED POLYMER AND PREPARATION METHOD THEREOF LG CHEMICAL LTD (KR) 2022-01-05 EP claimed
EP-3313965-B1 WORKING FLUIDS COMPRISING FLUORINATED OLEFINS AND POLYOL ESTERS LANXESS CORP (US) 2021-07-07 EP claimed
EP-3814417-A1 (METH)ACRYLIC COMPOSITION, COMPOSITE MATERIAL OBTAINED FROM SUCH A COMPOSITION, METHOD FOR PRODUCING SAME AND USES THEREOF ARKEMA FRANCE (FR) 2021-05-05 EP claimed
EP-3692976-B1 DENTAL MATERIALS BASED ON REDOX SYSTEMS WITH LOW ODOR CUMENE HYDROPEROXIDE DERIVATIVES IVOCLAR VIVADENT AG (LI) 2021-03-31 EP claimed
CN-107810258-B Working fluids comprising fluorinated olefins and polyol esters 朗盛解决方案美国公司 2021-02-09 CN claimed
US-10787484-B2 Compositions and methods for treating cardiovascular disease GENENTECH, INC. (US) 2020-09-29 US claimed
US-20190177366-A1 COMPOSITIONS AND METHODS FOR TREATING CARDIOVASCULAR DISEASE GENENTECH, INC. (US) 2019-06-13 US claimed
EP-3313965-A1 WORKING FLUIDS COMPRISING FLUORINATED OLEFINS AND POLYOL ESTERS Lanxess Solutions US Inc. (US) 2018-05-02 EP claimed
WO-1993025629-A2 POLYOL ESTER LUBRICANTS FOR REFRIGERATING COMPRESSORS OPERATING AT HIGH TEMPERATURES HENKEL CORPORATION (US) 1993-12-23 WO claimed
WO-1993024596-A1 POLYOL ESTER LUBRICANTS FOR REFRIGERATOR COMPRESSORS OPERATING AT HIGH TEMPERATURES HENKEL CORPORATION (US) 1993-12-09 WO claimed
WO-1993024597-A1 POLYOL ESTER LUBRICANTS FOR HERMETICALLY SEALED REFRIGERATING COMPRESSORS HENKEL CORPORATION (US) 1993-12-09 WO claimed
EP-0512031-B1 BLEACHING DETERGENT COMPOSITION NOVO NORDISK AS (DK) 1993-11-24 EP claimed
EP-0512031-A1 BLEACHING DETERGENT COMPOSITION. NOVO NORDISK AS (DK) 1992-11-11 EP claimed
US-5089576-A Copolymerization with unsaturated nitrile using bifunctional peroxide or peroxycarbonate as initiator NIPPON ZEON CO., LTD. (JP) 1992-02-18 US claimed
WO-1991010719-A1 BLEACHING DETERGENT COMPOSITION NOVO NORDISK A/S (DK) 1991-07-25 WO claimed
EP-0204116-B1 BLEACHING DETERGENT LIQUORS INCORPORATING NON LINEAR ALIPHATIC PEROXYCARBOXYLIC ACID PRECURSORS AND COMPOSITIONS FOR USE THEREIN THE PROCTER & GAMBLE COMPANY (US) 1989-04-19 EP claimed
EP-0090627-B1 METHOD FOR PRODUCING A PLASTIC LENS NIPPON OIL AND FATS COMPANY, LIMITED (JP) 1987-05-13 EP claimed
US-4097408-A FROM DIHYDOPEROXIDE AND CARBONYL COMPOUND, POLYMERIZATION CATALYSTS PENNWALT CORPORATION (US) 1978-06-27 US claimed