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) —
SCHEMBL15109505 0.78 — —
SCHEMBL11273625 0.78 — —
SCHEMBL2407423 0.78 — —
SCHEMBL3316118 0.78 — —
SCHEMBL1643939 0.78 — —
SCHEMBL17849546 0.76 ALDH1A1 (0.39) —
SCHEMBL164682 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
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