SCHEMBL4044697

SCHEMBL4044697

CC(=O)NC(C)C=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
SCHEMBL6618896 1.00
SCHEMBL2920884 1.00
SCHEMBL13857686 0.84 ALDH1A1 (0.32)
SCHEMBL2407423 0.78
SCHEMBL1643939 0.78
SCHEMBL11273625 0.78
SCHEMBL3316118 0.78
SCHEMBL15109505 0.78
SCHEMBL17849546 0.76 ALDH1A1 (0.39)
SCHEMBL6979783 0.76

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3465213-A1 METABALOMICS AND VIRAL DIAGNOSTICS SUITE Excision Biotherapeutics, Inc. (US) 2019-04-10 EP claimed
WO-2017205460-A1 METABALOMICS AND VIRAL DIAGNOSTICS SUITE EXCISION BIOTHERAPEUTICS, INC. (US) 2017-11-30 WO claimed
EP-1546150-B1 PYRROLE DERIVATIVES AS INHIBITORS OF CYTEINE PROTEASES AMURA THERAPEUTICS LTD (GB) 2009-03-04 EP claimed
US-20070129383-A1 Substituted 2-amino-[1,2,4]triazolo[1,5-a]pyrimidine derivative and use thereof NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2007-06-07 US claimed
EP-1674454-A1 SUBSTITUTED 2-AMINO- 1,2,4 TRIAZOLO 1,5-a PYRIMIDINE DERIVATIVE AND USE THEREOF Nippon Kayaku Kabushiki Kaisha (JP) 2006-06-28 EP claimed
US-20060100431-A1 Biologically active compounds AMURA THERAPEUTICS LIMITED (GB) 2006-05-11 US claimed
EP-1546150-A1 BIOLOGICALLY ACTIVE COMPOUNDS Amura Therapeutics Limited (GB) 2005-06-29 EP claimed
WO-2004007501-A1 BIOLOGICALLY ACTIVE COMPOUNDS AMURA THERAPEUTICS LIMITED (GB) 2004-01-22 WO claimed
EP-0976760-B1 Oligopeptides with fungicidal activity ISAGRO SPA (IT) 2002-12-18 EP claimed
US-6084065-A FOR AGRICULTURAL USE ISAGRO SPA (IT) 2000-07-04 US claimed
EP-0652229-B1 Oligopeptides with fungicidal activity ISAGRO SPA (IT) 2000-05-24 EP claimed
EP-0976760-A2 Oligopeptides with fungicidal activity ISAGRO S.p.A. (IT) 2000-02-02 EP claimed
EP-0652229-A2 Oligopeptides with fungicidal activity ISAGRO S.p.A. (IT) 1995-05-10 EP claimed
EP-4181781-B1 BREATH-BASED THERAPEUTIC DRUG MONITORING METHOD UNIV KINDERSPITAL BEIDER BASEL (CH) 2026-05-20 EP disclosed
EP-3478278-B1 METHOD OF DETERMINING ACUTE OR NON-HEALING WOUNDS AGENCY SCIENCE TECH & RES (SG) 2024-06-12 EP disclosed
WO-2024010854-A1 RAPID GENERATION OF BREATH-BASED HEALTH REPORTS AND SYSTEMS FOR USE IN THE SAME DIAGNOSE EARLY, INC. (US) 2024-01-11 WO disclosed
US-5225402-A Vasopressin antagonist, vasodilation, hypotensive, diuretics and anticoagulants OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1993-07-06 US disclosed
US-4914206-A ANTIBIOTICS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1990-04-03 US disclosed
EP-0226896-A2 Lankacidin derivatives and production thereof Takeda Chemical Industries, Ltd. (JP) 1987-07-01 EP disclosed
US-4062947-A Di-N-alkylaminoglycosides, methods for their manufacture and novel intermediates useful therein, method for their use as antibacterial agents and pharmaceutical compositions useful therefor SCHERING CORPORATION (US) 1977-12-13 US disclosed