SCHEMBL4648233

SCHEMBL4648233

Cc1sccc1[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
SCHEMBL11826120 0.76 PDE7A (0.43)
SCHEMBL27851500 0.75 TDP1 (0.50)
SCHEMBL872076 0.74 PDE7A (0.46)
SCHEMBL28906801 0.73 ALDH1A1 (0.56)
SCHEMBL9375139 0.73
SCHEMBL4648229 0.73
SCHEMBL10933026 0.73
SCHEMBL11559302 0.73
SCHEMBL5841002 0.73
SCHEMBL1306343 0.73

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1575974-B1 MODIFIED GUANOSINES HAVING FLAVOURING ACTIVITY FRUCTAMINE SPA (IT) 2008-03-19 EP claimed
EP-2593139-B1 ADMINISTRATION OF HYPOXIA ACTIVATED PRODRUGS AND ANTIANGIOGENIC AGENTS FOR THE TREATMENT OF CANCER THRESHOLD PHARMACEUTICALS INC (US) 2017-08-23 EP disclosed
US-20170232017-A1 TREATMENT OF CANCER THRESHOLD PHARMACEUTICALS, INC. (US) 2017-08-17 US disclosed
WO-2016014390-A1 COMPOSITIONS AND METHODS FOR MEK INHIBITOR COMBINATION THERAPY IN THE TREATMENT OF CANCER MERCK PATENT GMBH (DE) 2016-01-28 WO disclosed
WO-2015171647-A1 TREATMENT OF CANCER THRESHOLD PHARMACEUTICALS, INC. (US) 2015-11-12 WO disclosed
US-20150005263-A1 ADMINISTRATION OF HYPOXIA ACTIVATED PRODRUGS IN COMBINATION WITH CHK1 INHIBITORS FOR TREATING CANCER THRESHOLD PHARMACEUTICALS, INC. 2015-01-01 US disclosed
US-20150005262-A1 HYPOXIA ACTIVATED PRODRUGS AND MTOR INHIBITORS FOR TREATING CANCER THRESHOLD PHARMACEUTICALS, INC. 2015-01-01 US disclosed
US-20140072624-A1 UNIT DOSE FORM FOR ORAL ADMINISTRATION THRESHOLD PHARMACEUTICALS, INC. (US) 2014-03-13 US disclosed
US-20130296273-A1 TREATMENT OF BLOOD CANCER THRESHOLD PHARMACEUTICALS, INC. 2013-11-07 US disclosed
US-8003625-B2 Phosphoramidate alkylator prodrugs THRESHOLD PHARMACEUTICALS, INC. (US) 2011-08-23 US disclosed
WO-2011050160-A1 PHARMACEUTICALS, COMPOSITIONS AND METHODS OF MAKING AND USING THE SAME BIOGEN IDEC MA INC. (US) 2011-04-28 WO disclosed
WO-2008022467-A1 2-SUBSTITUTED AZAIN DOLES AND 2 SUBSTITUTED THIENOPYRROLES, THEIR PRECURSORS AND NOVEL PROCESSES FOR THE PREPARATION THEREOF LAUTENS MARK (CA) 2008-02-28 WO disclosed