SCHEMBL6131572

SCHEMBL6131572

CCC(=NO)C(C)(C)NCCCN

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
SCHEMBL8473055 0.95 PAOX (0.32)
SCHEMBL8473054 0.95 PAOX (0.32)
SCHEMBL7122794 0.89
SCHEMBL8362130 0.77 POLB (0.33)
SCHEMBL8362134 0.77 POLB (0.33)
SCHEMBL6131578 0.74 CYP2D6 (0.32)
SCHEMBL8476517 0.72 PAOX (0.38)
SCHEMBL8476513 0.72 PAOX (0.38)
SCHEMBL6131544 0.71
SCHEMBL8476699 0.70 PAOX (0.41)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6958141-B2 Rhenium and technetium complexes containing a hypoxia-localizing moiety BRACCO INTERNATIONAL B.V. (NL) 2005-10-25 US disclosed
US-20040191174-A1 Rhenium and technetium complexes containing a hypoxia-localizing moiety BRACCO SUISSE SA (CH) 2004-09-30 US disclosed
US-6699458-B2 CELL MEMBRANE PERMEABILITIES GREATER THAN THAT OF SUCROSE BRACCO INTERNATIONAL B.V. (NL) 2004-03-02 US disclosed
US-20040010127-A1 RHENIUM AND TECHNETIUM COMPLEXES CONTAINING A HYPOXIA-LOCALIZING MOIETY BRACCO SUISSE SA (CH) 2004-01-15 US disclosed
US-6660246-B1 3,3,9,9-Tetramethyl-4,8-diazaundecane-2,10-dione 2-Hydrazone 10-Oxime; BRACCO INTERNATIONAL, BV (NL) 2003-12-09 US disclosed
US-20020054853-A1 Rhenium and technetium complexes containing a hypoxia-localizing moiety BRACCO SUISSE SA (CH) 2002-05-09 US disclosed
US-6359120-B1 REACTING ALKYLENE DIAMINE WITH HALOKETONE TO PROVIDE AN ALKYLENE DIAMINEDIKETONE WHICH IS CONVERTED TO ALKYLENE DIAMINEDIOXIME; OR REACTING ALKYLENE DIAMINE WITH FIRST HALOKETONE AND REACTING WITH SECOND HALOKETONE BRACCO INTERNATIONAL B.V. (NL) 2002-03-19 US disclosed
US-6184361-B1 Rhenium and technetium complexes containing a hypoxia-localizing moiety BRACCO INTERNATIONAL B.V. (NL) 2001-02-06 US disclosed
US-5808091-A DIAGNOSTIC IMAGING AGENT BRACCO INTERNATIONAL B.V. 1998-09-15 US disclosed
EP-0688313-B1 LIGANDS AND METAL COMPLEXES THEREOF BRACCO INT BV (NL) 1998-04-08 EP disclosed
US-5688487-A Diagnostic imaging methods using rhenium and technetium complexes containing a hypoxia-localizing moiety BRACCO INTERNATIONAL B.V. (NL) 1997-11-18 US disclosed
US-5663307-A Hydrazone containing ligands and metal complexes thereof BRACCO INTERNATIONAL B.V. 1997-09-02 US disclosed
US-5651954-A Method of using hydrazone containing ligands and metal complexes thereof BRACCO INTERNATIONAL B.V. (NL) 1997-07-29 US disclosed
EP-0544412-B1 Rhenium and technetium complexes containing a hypoxia-localizing moiety BRACCO INT BV (NL) 1997-07-23 EP disclosed
US-5506345-A ANTIHYPOXIC AGENTS AMERSHAM INTERNATIONAL PLC (GB) 1996-04-09 US disclosed
US-5387692-A A bisamine oxime compound containing a 2-nitroimidazole group AMERSHAM INTERNATIONAL PLC (GB) 1995-02-07 US disclosed
EP-0544412-A2 Rhenium and technetium complexes containing a hypoxia-localizing moiety BRACCO INTERNATIONAL B.V. (NL) 1993-06-02 EP disclosed