SCHEMBL2227308

SCHEMBL2227308

O=[N+]([O-])C1=CCC(=S)C=C1

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
SCHEMBL7701653 0.76 GSK3A (0.32)
SCHEMBL11820953 0.76
SCHEMBL4737689 0.74 HSD17B10 (0.32)
SCHEMBL12472883 0.74
SCHEMBL4066270 0.74
SCHEMBL7113855 0.74
SCHEMBL6274142 0.71
Hydrochloric Acid SCHEMBL11311033 0.69
SCHEMBL8904779 0.69 POLB (0.32)
SCHEMBL3841523 0.69

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
EP-2525803-B1 ANTIMICROBIAL AGENTCOMPRISING PEROXIDE, ALCOHOL AND CHELATING AGENT HYPROTEK INC (US) 2017-04-26 EP disclosed
US-9253987-B2 Antimicrobial agents and methods of use HYPROTEK, INC. (US) 2016-02-09 US disclosed
US-8854617-B2 Compounds and markers for surface-enhanced Raman scattering JULIUS-MAXIMILIANS-UNIVERSITAT WURZBURG (DE) 2014-10-07 US disclosed
US-8846009-B2 Antimicrobial agents and methods of use HYPROTEK, INC. (US) 2014-09-30 US disclosed
US-8846008-B2 Antimicrobial agents and methods of use HYPROTEK, INC. (US) 2014-09-30 US disclosed
US-20130287860-A1 ANTIMICROBIAL AGENTS AND METHODS OF USE HYPROTEK, INC. 2013-10-31 US disclosed
US-20130287861-A1 ANTIMICROBIAL AGENTS AND METHODS OF USE HYPROTEK, INC. 2013-10-31 US disclosed
EP-2193374-B1 MARKERS FOR SURFACE-ENHANCED RAMAN SCATTERING UNIV WUERZBURG J MAXIMILIANS (DE) 2013-10-23 EP disclosed
US-20120288571-A1 Antimicrobial Agents and Methods of Use HYPROTEK, INC. (US) 2012-11-15 US disclosed
CN-102590109-A Method for extracting and determining activity of glutathione peroxidase in tea trees UNIV NANJING AGRICULTURAL 2012-07-18 CN disclosed
WO-2011091322-A2 ANTIMICROBIAL AGENTS AND METHODS OF USE HYPROTEK, INC. (US) 2011-07-28 WO disclosed
US-20100284917-A1 COMPOUNDS AND MARKERS FOR SURFACE-ENHANCED RAMAN SCATTERING JULIUS-MAXIMILIANS- UNIVERSITAT (DE) 2010-11-11 US disclosed
EP-2193374-A2 COMPOUNDS AND MARKERS FOR SURFACE-ENHANCED RAMAN SCATTERING Julius-Maximilians-Universität Würzburg (DE) 2010-06-09 EP disclosed
WO-2009040114-A2 COMPOUNDS AND MARKERS FOR SURFACE-ENHANCED RAMAN SCATTERING JULIUS-MAXIMILIANS-UNIVERSITÄT WÜRZBURG (DE) 2009-04-02 WO disclosed
EP-2040075-A1 Compounds and markers for surface-enhanced raman scattering Julius-Maximilians-Universität Würzburg (DE) 2009-03-25 EP disclosed