SCHEMBL4160084

SCHEMBL4160084

O=C1C=CC2=C(C=C3C=CC=CC3N2)C1[N+](=O)[O-]

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
SCHEMBL383233 0.77
SCHEMBL10643102 0.68
SCHEMBL11059682 0.68
SCHEMBL3075698 0.67
SCHEMBL3200423 0.64
SCHEMBL9004460 0.63
SCHEMBL9148558 0.61
SCHEMBL11691557 0.60
SCHEMBL11752327 0.60
SCHEMBL9712194 0.59

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9127164-B2 Fluorescent dyes and uses thereof ALMAC SCIENCES (SCOTLAND) LIMITED (GB) 2015-09-08 US disclosed
EP-1940965-B1 NOVEL FLUORESCENT DYES AND USES THEREOF ALMAC SCIENCES SCOTLAND LTD (GB) 2014-03-26 EP disclosed
US-20090226940-A1 NOVEL FLUORESCENT DYES AND USES THEREOF ITI SCOTLAND LIMITED (GB) 2009-09-10 US disclosed
EP-1940965-A2 NOVEL FLUORESCENT DYES AND USES THEREOF ITI Scotland Limited (GB) 2008-07-09 EP disclosed
WO-2007049057-A2 NOVEL FLUORESCENT DYES AND USES THEREOF ITI SCOTLAND LIMITED (GB) 2007-05-03 WO disclosed
US-4462993-A REACTION WITH A SUGAR IN PRESENCE OF ACID CATALYST BIOGAL GYOGYSZERGYAR (HU) 1984-07-31 US disclosed
EP-0038572-B1 1-NITRO-9-HYDROXYALKYLAMINOACRIDINES OR THEIR SALTS POLITECHNIKA GDANSKA (PL) 1984-03-21 EP disclosed
EP-0038572-A1 1-Nitro-9-hydroxyalkylaminoacridines or their salts POLITECHNIKA GDANSKA (PL) 1981-10-28 EP disclosed
US-4150231-A ANTITUMOR AGENTS POLITECHNIKA GDANSKA (PL) 1979-04-17 US disclosed
US-4139531-A ANTINEOPLASTIC POLITECHNIKA GDANSKA (PL) 1979-02-13 US disclosed