SCHEMBL2886583

SCHEMBL2886583

O=[N+]([O-])c1[c]c([N+](=O)[O-])[nH]n1

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
SCHEMBL2890296 0.60
SCHEMBL28341704 0.60 MAPT (0.38)
SCHEMBL2040935 0.59
SCHEMBL1025867 0.59
SCHEMBL28880802 0.59 MAPT (0.37)
SCHEMBL9346086 0.56
SCHEMBL11318233 0.54 CYP1A2 (0.53)
SCHEMBL7738102 0.54
SCHEMBL11028700 0.53 MAPT (0.36)
Water SCHEMBL10380965 0.45

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
US-8211252-B2 Furazane derivatives, preparation thereof and energetic compositions containing them EURENCO (FR) 2012-07-03 US claimed
US-20100132856-A1 FURAZANE DERIVATIVES, PREPARATION THEREOF AND ENERGETIC COMPOSITIONS CONTAINING THEM SNPE MATERIAUX ENERGETIQUES (FR) 2010-06-03 US claimed
EP-2125796-A1 FURAZANE DERIVATIVES, PREPARATION THEREOF AND ENERGETIC COMPOSITIONS CONTAINING THEM SNPE Matériaux Energétiques (FR) 2009-12-02 EP claimed
WO-2008102092-A1 FURAZANE DERIVATIVES, PREPARATION THEREOF AND ENERGETIC COMPOSITIONS CONTAINING THEM SNPE MATERIAUX ENERGETIQUES (FR) 2008-08-28 WO claimed
US-8211252-B2 Furazane derivatives, preparation thereof and energetic compositions containing them EURENCO (FR) 2012-07-03 US disclosed
US-20100132856-A1 FURAZANE DERIVATIVES, PREPARATION THEREOF AND ENERGETIC COMPOSITIONS CONTAINING THEM SNPE MATERIAUX ENERGETIQUES (FR) 2010-06-03 US disclosed
EP-2125796-A1 FURAZANE DERIVATIVES, PREPARATION THEREOF AND ENERGETIC COMPOSITIONS CONTAINING THEM SNPE Matériaux Energétiques (FR) 2009-12-02 EP disclosed
WO-2008102092-A1 FURAZANE DERIVATIVES, PREPARATION THEREOF AND ENERGETIC COMPOSITIONS CONTAINING THEM SNPE MATERIAUX ENERGETIQUES (FR) 2008-08-28 WO disclosed