SCHEMBL2336640

SCHEMBL2336640

O=C1COCC(=O)S1

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
SCHEMBL17043 0.68
SCHEMBL2456554 0.67
SCHEMBL111715 0.65
SCHEMBL88159 0.59
SCHEMBL13505442 0.59
SCHEMBL16269738 0.57
SCHEMBL184102 0.57
SCHEMBL18741054 0.55 LMNA (0.44)
SCHEMBL293764 0.55
SCHEMBL12808541 0.55

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117777185-A Singlet oxygen response phospholipid-fluorescence quenching group coupled molecule, up-conversion luminescence nano probe and preparation method and application thereof 湖南大学 2024-03-29 CN disclosed
EP-4188917-A1 PREPARATION OF ERDOSTEINE OR A DERIVATIVE THEREOF USING A CONTINUOUS FLOW PROCESS EDMOND PHARMA S.R.L. (IT) 2023-06-07 EP disclosed
WO-2022023929-A1 PREPARATION OF ERDOSTEINE OR A DERIVATIVE THEREOF USING A CONTINUOUS FLOW PROCESS EDMOND PHARMA S.R.L. (IT) 2022-02-03 WO disclosed
WO-2014028322-A1 MODULATORS OF THE HISTAMINE H3 RECEPTOR AND THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. (US) 2014-02-20 WO disclosed
WO-2013151982-A1 METHODS AND COMPOUNDS USEFUL IN TREATING PRURITUS, AND METHODS FOR IDENTIFYING SUCH COMPOUNDS ARENA PHARMACEUTICALS, INC. (US) 2013-10-10 WO disclosed
WO-2013026455-A1 PERMANENTLY POSITIVELY CHARGED ANTIDEPRESSANTS AARHUS UNIVERSITET (DK) 2013-02-28 WO disclosed
US-20110301288-A1 THIOIC ACIDS AS BUILDING BLOCK FOR POLYTHIOESTERS DSM IP ASSETS B.V. (NL) 2011-12-08 US disclosed
EP-2358668-A1 THIOIC ACIDS AS BUILDING BLOCK FOR POLYTHIOESTERS DSM IP Assets B.V. (NL) 2011-08-24 EP disclosed
WO-2010070132-A1 THIOIC ACIDS AS BUILDING BLOCK FOR POLYTHIOESTERS DSM IP ASSETS B.V. (NL) 2010-06-24 WO disclosed
EP-2199281-A1 Thioic acids as building block for polythioesters DSM IP Assets B.V. (NL) 2010-06-23 EP disclosed
EP-2051978-A2 ACETAMIDE DERIVATIVES AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO Arena Pharmaceuticals, Inc. (US) 2009-04-29 EP disclosed
EP-2035435-A1 NOVEL LAPACHONE COMPOUNDS AND METHODS OF USE THEREOF ARQULE, INC. (US) 2009-03-18 EP disclosed
WO-2007139569-A1 NOVEL LAPACHONE COMPOUNDS AND METHODS OF USE THEREOF ARQULE, INC. (US) 2007-12-06 WO disclosed
WO-2007136875-A2 ACETAMIDE DERIVATIVES AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. (US) 2007-11-29 WO disclosed