SCHEMBL133731

SCHEMBL133731

CC(C)(C)C(=O)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
SCHEMBL5463212 0.97 MCL1 (0.42)
Cyanoacetamide SCHEMBL4800439 0.89 MCL1 (0.65)
Sulfuric Acid SCHEMBL10882329 0.87 MCL1 (0.39)
SCHEMBL1011084 0.81
SCHEMBL28210900 0.80 DPP4 (0.35)
SCHEMBL1013617 0.79 MCL1 (0.41)
SCHEMBL1012319 0.79
SCHEMBL10769371 0.79
SCHEMBL27987112 0.79
SCHEMBL15571415 0.77 MCL1 (0.39)

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 1544 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250075147-A1 FRAGRANCE AND FLAVOR COMPOSITIONS COMPRISING NEW FLAVOR AND FRAGRANCE INGREDIENTS OSMO LABS, PBC 2025-03-06 US claimed
CN-118459109-A Glass laminate AGC株式会社 2024-08-09 CN claimed
CN-115651122-A Pour point depressant, and preparation method and application thereof 德仕能源科技集团股份有限公司 2023-01-31 CN claimed
CN-115093441-A Dissimilar metal doped alkyl tin metal oxygen sulfur cluster crystalline substance and preparation method and application thereof 中国科学院福建物质结构研究所 2022-09-23 CN claimed
US-20070079452-A1 Agent and method for the oxidative coloring of keratin fibers Wella GmbH (DE) 2007-04-12 US claimed
EP-1699426-A1 AGENT AND METHOD FOR OXIDATIVELY DYEING KERATIN FIBERS Wella Aktiengesellschaft (DE) 2006-09-13 EP claimed
WO-2005060927-A1 AGENT AND METHOD FOR OXIDATIVELY DYEING KERATIN FIBERS WELLA AKTIENGESELLSCHAFT (DE) 2005-07-07 WO claimed
WO-2003092643-A1 LIGHT-PROTECTION FORMULATIONS USING ACRYLONITRILE DERIVATIVES SYMRISE GMBH & CO. KG (DE) 2003-11-13 WO claimed
EP-0743574-B1 Migration imaging members XEROX CORP (US) 2000-12-27 EP claimed
EP-0743573-B1 Method for obtaining image contrast migration imaging members XEROX CORP (US) 2000-09-06 EP claimed
EP-0743573-A2 Method for obtaining image contrast migration imaging members XEROX CORPORATION (US) 1996-11-20 EP claimed
US-5563014-A SOFTENABLE LAYER CONTAINIG PHOTOSENSITIVE MARKING MATERIAL; TRANSPARENTIZING AGENT XEROX CORPORATION (US) 1996-10-08 US claimed
US-5514505-A SELECTIVE TRANSPARENTIZATION OF PHOTOSENSITIVE MIGRATION MARKING PARTICLES EMBEDDED NEAR THE SURFACE OF A SOFTENABLE LAYER SUPPORTED BY AN ELECTROCONDUCTIVE SUBSTRATE XEROX CORPORATION (US) 1996-05-07 US claimed
US-4716237-A Process for the production of 3-oxonitriles DEGUSSA AKTIENGESELLSCHAFT (DE) 1987-12-29 US claimed
EP-0101034-B1 METHOD FOR PREPARING 3-AMINO-5-(SUBSTITUTED)ISOXAZOLE PPG INDUSTRIES, INC. (US) 1986-10-22 EP claimed
EP-0101034-A1 Method for preparing 3-amino-5-(substituted)isoxazole PPG INDUSTRIES, INC. (US) 1984-02-22 EP claimed
EP-0004149-B1 PREPARATION OF 3-AMINO-5(T-BUTYL) ISOXAZOLE ELI LILLY AND COMPANY (US) 1983-03-02 EP claimed
EP-0010262-B1 PROCESS FOR PREPARING 3-AMINO-5-T-BUTYLISOXAZOLE SHIONOGI & CO., LTD. (JP) 1983-01-26 EP claimed
US-4256899-A REACTING PIVALOYLACETONITRILE WITH HYDROXYLAMINE, TREATING WITH A MINERAL ACID SHIONOGI & CO., LTD. (JP) 1981-03-17 US claimed
EP-0010262-A1 Process for preparing 3-amino-5-t-butylisoxazole SHIONOGI & CO., LTD. (JP) 1980-04-30 EP claimed