SCHEMBL4582932

SCHEMBL4582932

CC1=C(O)C(=O)OC1

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
SCHEMBL981116 0.72
SCHEMBL592926 0.72
SCHEMBL12676700 0.69 ALDH1A1 (0.36)
SCHEMBL4574313 0.68
SCHEMBL8508168 0.68
SCHEMBL1270772 0.68
SCHEMBL12404372 0.68
SCHEMBL14889545 0.68
SCHEMBL7822211 0.67
SCHEMBL16350576 0.65

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250058922-A1 REUSABLE PLASTIC BOTTLE ALPLA WERKE ALWIN LEHNER GMBH & CO. KG (AT) 2025-02-20 US disclosed
CN-118269403-A Production device and production method of corrugated paper box with fresh-keeping and antibacterial functions 郑州启晨装潢包装科技有限责任公司 2024-07-02 CN disclosed
CN-118269403-A Production device and production method of corrugated paper box with fresh-keeping and antibacterial functions 郑州启晨装潢包装科技有限责任公司 2024-07-02 CN disclosed
CN-114773297-A Thioether strigolactone derivative, preparation method thereof and application thereof in regulating plant growth 北京农学院 2022-07-22 CN disclosed
WO-2022085379-A1 LACTONE COMPOUND 長谷川香料株式会社 2022-04-28 WO disclosed
CN-105669612-A Simple preparation method of 3-hydroxy-4-methyl-2(5H)-furanone 郑州轻工业学院 2016-06-15 CN disclosed
CN-105669612-A Simple preparation method of 3-hydroxy-4-methyl-2(5H)-furanone 郑州轻工业学院 2016-06-15 CN disclosed
EP-1900356-A1 Extract of fenugreek Arcon International GmbH (DE) 2008-03-19 EP disclosed
US-20050000529-A1 Method and compositions for imparting cooling effect to tobacco products VECTOR TOBACCO INC. 2005-01-06 US disclosed
EP-1455609-A2 METHOD AND COMPOSITIONS FOR IMPARTING COOLING EFFECT TO TOBACCO PRODUCTS Vector Tobacco Inc. (US) 2004-09-15 EP disclosed
WO-2003053176-A2 METHOD AND COMPOSITIONS FOR IMPARTING COOLING EFFECT TO TOBACCO PRODUCTS VECTOR TOBACCO INC. (US) 2003-07-03 WO disclosed
EP-1157617-A2 Use of alpha-keto enamine derivatives as ingredients Société des Produits Nestlé S.A. (CH) 2001-11-28 EP disclosed
EP-0319757-B1 Insect attractant CLOROX CO (US) 1994-04-06 EP disclosed
US-4945107-A FURANONE AMERICAN CYANAMID COMPANY (US) 1990-07-31 US disclosed
EP-0319757-A2 Insect attractant The Clorox Company (US) 1989-06-14 EP disclosed