SCHEMBL1904095

SCHEMBL1904095

CC(C)C(=O)OS

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
SCHEMBL25400123 0.79 ENPEP (0.44)
SCHEMBL27538359 0.78
SCHEMBL27649792 0.78
SCHEMBL13145309 0.75
SCHEMBL11244990 0.75
SCHEMBL13073625 0.75
SCHEMBL5820792 0.73
SCHEMBL9637853 0.73
SCHEMBL16250 0.72 TSHR (0.42)
SCHEMBL48511 0.72 ELANE (0.37)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104837478-A Personal care compositions PROCTER & GAMBLE 2015-08-12 CN claimed
CN-102093284-B Method for enriching piperidine-2-formanilide optically active compound YICHANG HUMANWELL PHARMACEUTICAL CO LTD 2013-05-08 CN claimed
CN-101560132-B Method for racemizing chiral amino acid or derivatives of chiral amino acid PULUO MEDICINES TECH CO., LTD., ZHEJIANG (CN) 2011-12-14 CN claimed
CN-102093284-A Method for enriching piperidine-2-formanilide optically active compound YICHANG HUMANWELL PHARMACEUTICAL CO LTD 2011-06-15 CN claimed
CN-101560132-A Method for racemizing chiral amino acid or derivatives of chiral amino acid ZHEJIANG APELOA HOME PHARMACEU (CN) 2009-10-21 CN claimed
CN-100522127-C Perfume composition KAO CORP (JP) 2009-08-05 CN claimed
CN-115960720-A Microorganisms and methods for producing fatty alcohols of specific length and related compounds 基因组股份公司 2023-04-14 CN disclosed
CN-104884629-B Microorganisms and methods for producing fatty alcohols of specific length and related compounds 基因组股份公司 2022-12-20 CN disclosed
CN-110483349-B Preparation method of alkyl thioether 中国科学院兰州化学物理研究所 2021-01-12 CN disclosed
EP-2325231-B1 MULTIBRANCHED POLYALKYLENE GLYCOL POLYMER AND MANUFACTURING METHOD THEREOF, AND CEMENT ADMIXTURE NIPPON CATALYTIC CHEM IND (JP) 2019-11-06 EP disclosed
CN-109568166-A Fragrance material 宝洁公司 2019-04-05 CN disclosed
CN-109548863-A The new application that thioacetic acid esters compound is used to that fruits and vegetables tissue to be inhibited to change colour 山东农业大学 2019-04-02 CN disclosed
CN-106187936-B Acrylonitrile compound and application thereof 湖南化工研究院有限公司 2018-08-03 CN disclosed
EP-0992850-A2 Planographic printing original plate FUJI PHOTO FILM CO., LTD. (JP) 2000-04-12 EP disclosed
US-5872189-A PREPARATION OF PAPER-COATING COMPOSITIONS, PAINT COMPOSITIONS, ADHESIVE COATINGS (PRESSURE-SENSITIVE ADHESIVES, TILING ADHESIVES) AND ADDITIVES TO HYDRAULIC BINDERS OF THE MORTAR OR CONCRETE TYPE RHONE-POULENC CHIMIE (FR) 1999-02-16 US disclosed
EP-0744450-A2 Aqueous compositions containing acetoacetate functional polymer and multifunctional amine ROHM AND HAAS COMPANY (US) 1996-11-27 EP disclosed
EP-0078642-B1 RADIOPHARMACEUTICAL COMPOSITION BASED ON TECHNETIUM-99M AND REAGENT FOR MAKING IT AMERSHAM INTERNATIONAL plc (GB) 1986-12-10 EP disclosed
US-4451451-A Radiopharmaceutical composition based on technetium-99m and reagent for making it AMERSHAM INTERNATIONAL PLC (GB) 1984-05-29 US disclosed
EP-0078642-A2 Radiopharmaceutical composition based on technetium-99m and reagent for making it AMERSHAM INTERNATIONAL plc (GB) 1983-05-11 EP disclosed
US-4086360-A Phenyl thiol carbanilide derivatives, method for the preparation thereof and use thereof as fungicide for agriculture NIPPON KAYAKU KABUSHIKI KAISHA (JA) 1978-04-25 US disclosed