SCHEMBL710902

SCHEMBL710902

C=CCN(C)C(=O)c1c(I)c(N)c(I)c(C(=O)Cl)c1I

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
SCHEMBL1359901 0.93
SCHEMBL711756 0.85 ALDH1A1 (0.33)
SCHEMBL10305673 0.83
SCHEMBL13360180 0.79 LMNA (0.39)
SCHEMBL14436570 0.78
SCHEMBL1361288 0.77 ALDH1A1 (0.37)
SCHEMBL10305687 0.75
SCHEMBL12139009 0.75
SCHEMBL9194847 0.74 ALDH1A1 (0.32)
SCHEMBL620188 0.74 ALDH1A1 (0.32)

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-8124806-B2 Contrast agents GE HEALTHCARE AS (NO) 2012-02-28 US disclosed
US-8124806-B2 Contrast agents GE HEALTHCARE AS (NO) 2012-02-28 US disclosed
US-8124806-B2 Contrast agents GE HEALTHCARE AS (NO) 2012-02-28 US disclosed
EP-1989179-B1 CONTRAST AGENTS GE HEALTHCARE AS (NO) 2011-01-26 EP disclosed
EP-1989179-B1 CONTRAST AGENTS GE HEALTHCARE AS (NO) 2011-01-26 EP disclosed
US-20100183522-A1 CONTRAST AGENTS GE HEALTHCARE AS (NO) 2010-07-22 US disclosed
US-20100183522-A1 CONTRAST AGENTS GE HEALTHCARE AS (NO) 2010-07-22 US disclosed
US-20100183522-A1 CONTRAST AGENTS GE HEALTHCARE AS (NO) 2010-07-22 US disclosed
US-20100111875-A1 TRISUBSTITUTED TRIAZAMACROCYCLIC COMPOUNDS AND THEIR USE AS CONTRAST AGENTS GE HEALTHCARE AS (NO) 2010-05-06 US disclosed
US-20100111875-A1 TRISUBSTITUTED TRIAZAMACROCYCLIC COMPOUNDS AND THEIR USE AS CONTRAST AGENTS GE HEALTHCARE AS (NO) 2010-05-06 US disclosed
US-20090053142-A1 CONTRAST AGENTS WYNN DUNCAN 2009-02-26 US disclosed
WO-2009005365-A1 CONTRAST AGENTS GE HEALTHCARE AS (NO) 2009-01-08 WO disclosed
WO-2009005365-A1 CONTRAST AGENTS GE HEALTHCARE AS (NO) 2009-01-08 WO disclosed
EP-1989179-A1 CONTRAST AGENTS GE Healthcare AS (NO) 2008-11-12 EP disclosed
US-20080260651-A1 CONTRAST AGENTS GE HEALTHCARE AS (NO) 2008-10-23 US disclosed
US-20080260651-A1 CONTRAST AGENTS GE HEALTHCARE AS (NO) 2008-10-23 US disclosed
US-20080260651-A1 CONTRAST AGENTS GE HEALTHCARE AS (NO) 2008-10-23 US disclosed
WO-2008123779-A1 TRISUBSTITUTED TRIAZAMACROCYCLI C COMPOUNDS AND THEIR USE AS CONTRAST AGENTS GE HEALTHCARE AS (NO) 2008-10-16 WO disclosed
WO-2008123779-A1 TRISUBSTITUTED TRIAZAMACROCYCLI C COMPOUNDS AND THEIR USE AS CONTRAST AGENTS GE HEALTHCARE AS (NO) 2008-10-16 WO disclosed
WO-2007094683-A1 CONTRAST AGENTS GE HEALTHCARE AS (NO) 2007-08-23 WO disclosed