SCHEMBL3631404

SCHEMBL3631404

CNN1C=NCC1

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
SCHEMBL28539808 0.73
Bromide SCHEMBL7086983 0.72
Bromide SCHEMBL28722724 0.68
SCHEMBL322046 0.67
Bromide SCHEMBL28720792 0.64
SCHEMBL19596989 0.64
SCHEMBL14973725 0.63
SCHEMBL9682842 0.63
SCHEMBL66185 0.63
Water SCHEMBL8209107 0.61

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3519411-B1 HETEROCYCLIC COMPOUNDS AND THEIR USE IN PREVENTING OR TREATING BACTERIAL INFECTIONS MUTABILIS (FR) 2022-06-22 EP disclosed
EP-2142665-B1 LUMINESCENT LIVE AND DEAD CELL ASSAY PROMEGA CORP (US) 2013-11-27 EP disclosed
US-8227205-B2 Luminescent live and dead cell assay PROMEGA CORPORATION (US) 2012-07-24 US disclosed
US-20120149045-A1 LUMINESCENT LIVE AND DEAD CELL ASSAY PROMEGA CORPORATION (US) 2012-06-14 US disclosed
EP-2142665-A2 LUMINESCENT LIVE AND DEAD CELL ASSAY PROMEGA CORPORATION (US) 2010-01-13 EP disclosed
WO-2008127677-A9 LUMINESCENT LIVE AND DEAD CELL ASSAY PROMEGA CORP (US) 2009-03-12 WO disclosed
WO-2008127677-A2 LUMINESCENT LIVE AND DEAD CELL ASSAY PROMEGA CORPORATION (US) 2008-10-23 WO disclosed