SCHEMBL562672

SCHEMBL562672

N#CCC1(CC#N)COc2cscc2OC1

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
SCHEMBL10540334 0.67 EPHX1 (0.32)
SCHEMBL13118569 0.64
SCHEMBL1963806 0.58
SCHEMBL28261136 0.57 GABRP (0.40)
SCHEMBL10470990 0.57
SCHEMBL8632510 0.56
SCHEMBL22768002 0.56
SCHEMBL4971443 0.56
SCHEMBL871155 0.54
SCHEMBL15160716 0.54

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230335709-A1 Electrode LG ENERGY SOLUTION, LTD. (KR) 2023-10-19 US disclosed
US-20230307647-A1 Electrode Active Material for Secondary Battery and Method of Manufacturing Same LG ENERGY SOLUTION, LTD. (KR) 2023-09-28 US disclosed
US-9093193-B2 Processing method for water soluble polymeric materials UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2015-07-28 US disclosed
EP-2402955-B1 Chemical defunctionalization of polymeric alkylenedioxyheterocyclics - the monomers UNIV FLORIDA (US) 2013-07-03 EP disclosed
EP-1979916-B1 CHEMICAL DEFUNCTIONALIZATION OF POLYMERIC ALKYLENEDIOXYHETEROCYCLICS UNIV FLORIDA (US) 2012-03-21 EP disclosed
US-20120032104-A1 PROCESSING METHOD FOR WATER SOLUBLE POLYMERIC MATERIALS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2012-02-09 US disclosed
US-7807758-B2 Chemical defunctionalization of polymeric alkylenedioxyheterocyclics UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2010-10-05 US disclosed
US-20090221763-A1 Chemical Defunctionalization of Polymeric Alkylenedioxyheterocyclics UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2009-09-03 US disclosed