SCHEMBL4413128

SCHEMBL4413128

Cn1nnnc1[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
SCHEMBL4415079 0.74 CYP1A2 (0.39)
SCHEMBL11031555 0.73
SCHEMBL4408056 0.73 PKM (0.30)
SCHEMBL4413060 0.73
SCHEMBL3293430 0.73
SCHEMBL4405896 0.73
SCHEMBL4414682 0.72 CYP1A2 (0.36)
SCHEMBL4405624 0.72 ALDH1A1 (0.41)
SCHEMBL4409306 0.72 ALDH1A1 (0.34)
SCHEMBL4405924 0.71 HTT (0.40)

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 32 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11535575-B2 Lead-free initiating agents or initiating agent mixtures DYNITEC GMBH (DE) 2022-12-27 US claimed
EP-3481792-B1 LEAD-FREE INITIATING AGENTS OR INITIATING AGENT MIXTURES DYNITEC GMBH (DE) 2022-09-28 EP claimed
US-20190256438-A1 LEAD-FREE INITIATING AGENTS OR INITIATING AGENT MIXTURES DYNITEC GMBH (DE) 2019-08-22 US claimed
EP-3481792-A1 LEAD-FREE INITIATING AGENTS OR INITIATING AGENT MIXTURES Dynitec GmbH (DE) 2019-05-15 EP claimed
US-10224485-B2 Process for preparing a crystalline organic semiconductor material BASF SE (DE) 2019-03-05 US claimed
US-20170012208-A1 ORGANIC SEMICONDUCTOR FORMULATIONS USINVEST LLC 2017-01-12 US claimed
CN-117399072-A Ultra-small cerium-based metal organic framework nano enzyme and preparation method and application thereof 华南理工大学 2024-01-16 CN disclosed
EP-3183250-B1 PROCESS FOR PREPARING CRYSTALLINE ORGANIC SEMICONDUCTOR MATERIAL CLAP CO LTD (KR) 2023-10-04 EP disclosed
US-11535575-B2 Lead-free initiating agents or initiating agent mixtures DYNITEC GMBH (DE) 2022-12-27 US disclosed
EP-3481792-B1 LEAD-FREE INITIATING AGENTS OR INITIATING AGENT MIXTURES DYNITEC GMBH (DE) 2022-09-28 EP disclosed
EP-3183757-B1 ORGANIC SEMICONDUCTOR COMPOSITION COMPRISING LIQUID MEDIUM CLAP CO LTD (KR) 2022-05-04 EP disclosed
CN-107004768-B Organic semiconductor composition containing a liquid medium 巴斯夫欧洲公司 2020-08-21 CN disclosed
US-10454037-B2 Organic semiconductor composition comprising a liquid medium BASF SE (DE) 2019-10-22 US disclosed
WO-2016027217-A1 ORGANIC SEMICONDUCTOR COMPOSITION COMPRISING LIQUID MEDIUM BASF SE (DE) 2016-02-25 WO disclosed
WO-2016027218-A1 PROCESS FOR PREPARING CRYSTALLINE ORGANIC SEMICONDUCTOR MATERIAL BASF SE (DE) 2016-02-25 WO disclosed
US-20140042369-A1 Organic Semiconductor Formulations USINVEST LLC 2014-02-13 US disclosed
EP-1859782-B1 Composition for coloring and/or lightening human hair comprising tetrazoles HENKEL AG & CO KGAA (DE) 2009-12-30 EP disclosed
CN-100478002-C Compound medication of valerian for treating coronary heart disease, and preparation method HUIER BIOTECH CO LTD (CN) 2009-04-15 CN disclosed
EP-1859782-A1 Composition for coloring and/or lightening human hair comprising tetrazoles Henkel Kommanditgesellschaft auf Aktien (DE) 2007-11-28 EP disclosed
CN-1872241-A Compound medication of valerian for treating coronary heart disease, and preparation method HUIER BIOTECH CO LTD WUHAN (CN) 2006-12-06 CN disclosed