SCHEMBL94345

SCHEMBL94345

C[C](CN)CCCN

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
SCHEMBL9132578 0.87 PAOX (0.46)
SCHEMBL7702340 0.73
SCHEMBL68956 0.71
SCHEMBL921645 0.69
SCHEMBL28797562 0.69
SCHEMBL14827797 0.69
SCHEMBL219402 0.69
SCHEMBL18379007 0.69
SCHEMBL18950210 0.67
Hydrochloric Acid SCHEMBL1128658 0.67

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-2061799-A2 METHODS AND COMPOSITIONS FOR THE USE OF LYSINE RIBOSWITCHES YALE UNIVERSITY (US) 2009-05-27 EP claimed
WO-2008033866-A2 METHODS AND COMPOSITIONS FOR THE USE OF LYSINE RIBOSWITCHES YALE UNIVERSITY (US) 2008-03-20 WO claimed
EP-2426219-A1 Riboswitches and methods and compositions for use of and with riboswitches Yale University (US) 2012-03-07 EP disclosed
EP-2426218-A1 Riboswitches and methods and compositions for use of and with riboswitches Yale University (US) 2012-03-07 EP disclosed
EP-2139909-A1 PREQ1 RIBOSWITCHES AND METHODS AND COMPOSITIONS FOR USE OF AND WITH PREQ1 RIBOSWITCHES Yale University, Inc. (US) 2010-01-06 EP disclosed
EP-2061799-A2 METHODS AND COMPOSITIONS FOR THE USE OF LYSINE RIBOSWITCHES YALE UNIVERSITY (US) 2009-05-27 EP disclosed
WO-2008116223-A1 PREQ1 RIBOSWITCHES AND METHODS AND COMPOSITIONS FOR USE OF AND WITH PREQ1 RIBOSWITCHES YALE UNIVERSITY (US) 2008-09-25 WO disclosed
WO-2008033866-A2 METHODS AND COMPOSITIONS FOR THE USE OF LYSINE RIBOSWITCHES YALE UNIVERSITY (US) 2008-03-20 WO disclosed