SCHEMBL545605

SCHEMBL545605

NC1C=CCC(N)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
SCHEMBL3675158 0.80
SCHEMBL14348032 0.80
SCHEMBL5058726 0.74
SCHEMBL24570806 0.72
SCHEMBL18855310 0.72
SCHEMBL20694111 0.72
SCHEMBL22415182 0.67
SCHEMBL456468 0.66
SCHEMBL23145224 0.66 ABAT (1.00)
SCHEMBL13370354 0.66 ABAT (0.39)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130081999-A1 Bridged Macrocyclic Module Compositions WHITEFORD JEFFERY A (US) 2013-04-04 US disclosed
US-8182695-B2 Bridged macrocyclic module compositions WHITEFORD JEFFERY A (US) 2012-05-22 US disclosed
US-8110679-B2 Nanofilm and membrane compositions COVALENT PARTNERS LLC (US) 2012-02-07 US disclosed
US-7767810-B2 Macrocyclic modules comprising linked cyclic synthon units for use in the formation of selectively permeable membranes COVALENT PARTNERS, LLC (US) 2010-08-03 US disclosed
US-20100152438-A1 AMPHIPHILIC MOLECULAR MODULES AND CONSTRUCTS BASED THEREON COVALENT PARTNERS LLC 2010-06-17 US disclosed
US-7595368-B2 Nanofilm compositions with polymeric components COVALENT PARTNERS, LLC (US) 2009-09-29 US disclosed
US-7563890-B2 Amphiphilic molecular modules and constructs based thereon COVALENT PARTNERS, LLC (US) 2009-07-21 US disclosed
US-20090114596-A1 NANOFILM AND MEMBRANE COMPOSITIONS COVALENT PARTNERS LLC 2009-05-07 US disclosed
US-20090118471-A1 NOVEL COUMARIN DERIVATIVES THE UNIVERSITY OF TOKYO (JP) 2009-05-07 US disclosed
US-7482473-B2 Coumarin derivative THE UNIVERSITY OF TOKYO (JP) 2009-01-27 US disclosed
US-20060270846-A1 Amphiphilic molecular modules and constructs based thereon COVALENT PARTNERS, LLC (US) 2006-11-30 US disclosed
US-20060128680-A1 Macrocyclic module compositions KRIESEL JOSH 2006-06-15 US disclosed
EP-1667965-A2 BRIDGED MACROCYCLIC MODULE COMPOSITIONS Covalent Partners, LLC (US) 2006-06-14 EP disclosed
US-20060041077-A1 Nanofilm compositions with polymeric components COVALENT PARTNERS LLC 2006-02-23 US disclosed
US-20050154199-A1 Bridged macrocyclic module compositions COVALENT PARTNERS LLC 2005-07-14 US disclosed
WO-2005030711-A2 BRIDGED MACROCYCLIC MODULE COMPOSITIONS COVALENT PARTNERS LLC (US) 2005-04-07 WO disclosed
US-20040260085-A1 Nanofilm and membrane compositions COVALENT PARTNERS LLC 2004-12-23 US disclosed
US-20040106741-A1 Nanofilm compositions with polymeric components COVALENT PARTNERS LLC 2004-06-03 US disclosed
US-20040034223-A1 Amphiphilic molecular modules and constructs based thereon COVALENT PARTNERS, LLC. 2004-02-19 US disclosed
US-20030199688-A1 Macrocyclic module compositions COVALENT PARTNERS, LLC 2003-10-23 US disclosed