SCHEMBL1704756

SCHEMBL1704756

NC(=O)N1C=CN=NN1C(N)=O

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
Urea SCHEMBL3783124 0.47
Urea SCHEMBL28191757 0.44
Urea SCHEMBL8855160 0.44
Carbamic Acid SCHEMBL674697 0.44
Urea SCHEMBL11630935 0.44
Urea SCHEMBL4797526 0.44
SCHEMBL22027687 0.43
Urea SCHEMBL7756359 0.43 LMNA (1.00)
Urea SCHEMBL8560069 0.43 LMNA (1.00)
Urea SCHEMBL20641124 0.43 LMNA (1.00)

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
EP-2627634-B1 A NEW DIMEDON DERIVATIVE AND A METHOD FOR THE PURIFICATION OF PNA AND PEPTIDE OLIGOMERS DEUTSCHES KREBSFORSCH (DE) 2015-08-26 EP disclosed
US-20130274440-A1 DIMEDON DERIVATIVE AND A METHOD FOR THE PURIFICATION OF PNA AND PEPTIDE OLIGOMERS DEUTSCHES KREBSFORSCHUNGSZENTRUM (DE) 2013-10-17 US disclosed
EP-2627634-A1 A NEW DIMEDON DERIVATIVE AND A METHOD FOR THE PURIFICATION OF PNA AND PEPTIDE OLIGOMERS Deutsches Krebsforschungszentrum (DE) 2013-08-21 EP disclosed
WO-2012048877-A1 A NEW DIMEDON DERIVATIVE AND A METHOD FOR THE PURIFICATION OF PNA AND PEPTIDE OLIGOMERS DEUTSCHES KREBSFORSCHUNGSZENTRUM (DE) 2012-04-19 WO disclosed
EP-2441754-A1 A new dimedon derivative and a method for the purification of PNA and peptide oligomers Deutsches Krebsforschungszentrum (DE) 2012-04-18 EP disclosed
EP-2044035-A1 PROCESS FOR THE COVALENT COUPLING OF TWO MOLECULES BY MEANS OF A DIELS-ALDER REACTION WITH INVERSE ELECTRON REQUIREMENT Deutsches Krebsforschungszentrum, Stiftung des öffentlichen Rechts (DE) 2009-04-08 EP disclosed
WO-2007144200-A1 PROCESS FOR THE COVALENT COUPLING OF TWO MOLECULES BY MEANS OF A DIELS-ALDER REACTION WITH INVERSE ELECTRON REQUIREMENT Deutsches Krebsforschungszentrum Stiftung des öffentlichen Rechts (DE) 2007-12-21 WO disclosed
EP-1867638-A1 Procedure for the Conection of two Molecules via Diels-Alder Reactions with Inverse Electron Demand Deutsches Krebsforschungszentrum Stiftung des öffentlichen Rechts (DE) 2007-12-19 EP disclosed