SCHEMBL4430080

SCHEMBL4430080

N=C1NCCN1[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
SCHEMBL30745616 0.98 MAPT (0.30)
SCHEMBL7362157 0.77
SCHEMBL27891868 0.69 MAPT (0.41)
SCHEMBL8727463 0.66 AVPR1A (0.39)
SCHEMBL1754761 0.61 KMT2A (0.47)
Bromide SCHEMBL9464714 0.57
SCHEMBL2485079 0.56
Hydrochloric Acid SCHEMBL9067551 0.54 ADRB1 (0.41)
SCHEMBL251934 0.52 MEN1 (0.33)
SCHEMBL13938850 0.52

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3797137-A1 ALL TEMPERATURE WATER BORNE SEALANT Red Devil Inc. (US) 2021-03-31 EP disclosed
WO-2020043650-A1 ACTIVE COMPOUND COMBINATIONS HAVING INSECTICIDAL/ACARICIDAL PROPERTIES BAYER AKTIENGESELLSCHAFT (DE) 2020-03-05 WO disclosed
CN-108467305-A A kind of special foliage-spray medicine fertilizer of novel wheat 青岛农业大学 2018-08-31 CN disclosed
EP-2699087-A2 COATING COMPOSITIONS FOR PATHOGEN CONTROL IN OILSEEDS Exosect Limited (GB) 2014-02-26 EP disclosed
EP-2699088-A2 COATING COMPOSITIONS FOR PATHOGEN CONTROL IN VEGETABLES Exosect Limited (GB) 2014-02-26 EP disclosed
WO-2012143678-A2 COATING COMPOSITIONS FOR PATHOGEN CONTROL IN VEGETABLES EXOSECT LIMITED (GB) 2012-10-26 WO disclosed
WO-2012143679-A2 COATING COMPOSITIONS FOR PATHOGEN CONTROL IN COTTON EXOSECT LIMITED (GB) 2012-10-26 WO disclosed
WO-2012143677-A2 COATING COMPOSITIONS FOR PATHOGEN CONTROL IN OILSEEDS EXOSECT LIMITED (GB) 2012-10-26 WO disclosed
US-8232228-B2 Method for increasing the efficacy of agricultural chemicals PLANT HEALTH CARE, INC. (US) 2012-07-31 US disclosed
EP-2096925-A2 PESTICIDE COMPOSITION COMPRISING FOSETYL-ALUMINIUM AND AN INSECTICIDE ACTIVE SUBSTANCE Bayer CropScience AG (DE) 2009-09-09 EP disclosed
WO-2008077930-A2 PESTICIDE COMPOSITION COMPRISING FOSETYL-ALUMINIUM AND AN INSECTICIDE ACTIVE SUBSTANCE BAYER CROPSCIENCE AG (DE) 2008-07-03 WO disclosed
US-20070037705-A1 Method for Increasing the Efficacy of Agricultural Chemicals PLANT HEALTH CARE, INC. 2007-02-15 US disclosed
US-6667401-B2 Reacting heterocycle such as 2-cyanoiminothiazolidine with base in presence of diluent, and subsequently reacting product with mixture of 2-chloro-5-chloromethylpyridine and 2-chloro-5-methylpyridine and corresponding hydrochlorides BAYER AKTIENGESELLSCHAFT (DE) 2003-12-23 US disclosed
US-20030114667-A1 Method for producing heterocyclic compounds BAYER INTELLECTUAL PROPERTY GMBH (DE) 2003-06-19 US disclosed
EP-0829203-B1 Insecticidal composition SANKYO CO (JP) 2002-12-18 EP disclosed
US-6022881-A MIXTURE OF VARIOUS KNOWN INSECTICIDAL COMPOUNDS WITH ISOBORNYL THIOCYANOETHYL ETHER EXHIBITS A SYNERGISTIC EFFECT. SANKYO COMPANY, LIMITED (JP) 2000-02-08 US disclosed
US-5935943-A SYNERGISTIC AMOUNTS OF ISOBORNYL THIOCYANOETHYL ETHER AND AT LEAST ONE INSECTICIDE SELECTED FROM THE GROUP CONSISTING OF ETOFENPROX AND SILAFLUOFEN TO ERADICATE HARMFUL WOOD-EATING INSECTS, E.G. TERMITES, POWDERPOST BEETLES SANKYO COMPANY, LIMITED (JP) 1999-08-10 US disclosed
EP-0829203-A1 Insecticidal composition SANKYO COMPANY LIMITED (JP) 1998-03-18 EP disclosed