SCHEMBL113776

SCHEMBL113776

CC(=O)OCC=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
SCHEMBL1871028 1.00 ALDH1A1 (0.65)
Hydrogen Peroxide SCHEMBL31395241 0.97 ALDH1A1 (0.63)
Acetic Acid SCHEMBL17748848 0.95 ALDH1A1 (0.61)
Acetic Acid Methyl Ester SCHEMBL18344252 0.93 ALDH1A1 (0.59)
SCHEMBL11047528 0.89 ALDH1A1 (0.55)
SCHEMBL6913629 0.83 ALDH1A1 (0.48)
SCHEMBL29411179 0.83 ALOX15 (0.70)
SCHEMBL9544224 0.81
SCHEMBL9544217 0.81
Geranyl Acetate SCHEMBL1869319 0.80 ALDH1A1 (1.00)

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

Appears in 5095 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4214303-B1 IMPROVEMENTS IN OR RELATING TO ORGANIC COMPOUNDS GIVAUDAN SA (CH) 2026-05-06 EP claimed
US-20260055336-A1 LIQUID LAUNDRY DETERGENT COMPOSITION PROCTER & GAMBLE (US) 2026-02-26 US claimed
US-12559703-B2 Fragrance composition GIVAUDAN SA (CH) 2026-02-24 US claimed
US-12522786-B2 Organic compounds GIVAUDAN SA (CH) 2026-01-13 US claimed
US-20250376643-A1 TREATMENT COMPOSITION WITH PERFUME-CONTAINING DELIVERY PARTICLES ENCAPSYS, LLC (US) 2025-12-11 US claimed
EP-3504221-B1 NOVEL PROCESS FOR PREPARATION OF CORTICOSTEROIDS CORAL DRUGS PVT LTD (IN) 2025-11-26 EP claimed
EP-4626387-A1 TREATMENT COMPOSITION WITH PERFUME CONTAINING DELIVERY PARTICLES The Procter & Gamble Company (US) 2025-10-08 EP claimed
EP-4627029-A1 TREATMENT COMPOSITION WITH PERFUME-CONTAINING DELIVERY PARTICLES Encapsys, LLC (US) 2025-10-08 EP claimed
WO-2025202258-A1 IMPROVEMENTS IN OR RELATING TO ORGANIC COMPOUNDS GIVAUDAN SA (CH) 2025-10-02 WO claimed
EP-4623057-A1 ENCAPSULATED FRAGRANCE COMPOSITIONS FOR PROVIDING, MODULATING OR INTENSIFYING A SCENT Symrise AG (DE) 2025-10-01 EP claimed
US-5711955-A Insect combatant controlled/prolonged delivery device CELAFLOR GMBH (DE) 1998-01-27 US claimed
WO-1997034993-A1 TOILET BOWL DETERGENT SYSTEM CONTAINING BLOOMING PERFUME THE PROCTER & GAMBLE COMPANY (US) 1997-09-25 WO claimed
WO-1997034987-A1 BUILT AUTOMATIC DISHWASHING COMPOSITIONS COMPRISING BLOOMING PERFUME THE PROCTER & GAMBLE COMPANY (US) 1997-09-25 WO claimed
WO-1997034988-A1 GLASS CLEANING COMPOSITIONS CONTAINING BLOOMING PERFUME THE PROCTER & GAMBLE COMPANY (US) 1997-09-25 WO claimed
US-5585252-A CATALYTIC ACYLATION OF ALCOHOLS G. D. SEARLE & CO. (US) 1996-12-17 US claimed
US-5306707-A Containing water, surfactant, antimicrobially effective perfume ingredient UNILEVER PATENT HOLDINGS B.V. (NL) 1994-04-26 US claimed
WO-1992007862-A1 ANTIBIOTICS IMPROVED BY CONJUGATION WITH STEREOSPECIFIC CARBOHYDRTES AND METHODS FOR CARBOHYDRATE STEREOSELECTIVITY YALE UNIVERSITY (US) 1992-05-14 WO claimed
EP-0008581-A1 METHOD OF PREPARING E-4-ACETOXY-2-METHYL-2-BUTENAL BABLER, James, H. (US) 1980-03-05 EP claimed
WO-1979000485-A1 METHOD OF PREPARING E-4-ACETOXY-2-METHYL-2-BUTENAL BABLER J 1979-07-26 WO claimed
US-4021411-A Production of high molecular weight α,β-unsaturated aldehydes BADISCHE ANILIN- & SODA-FABRIK AKTIENGESELLSCHAFT (DT) 1977-05-03 US claimed