SCHEMBL3226776

SCHEMBL3226776

NC(=O)n1cnnc1

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
SCHEMBL11286424 0.73
SCHEMBL5186723 0.69
Hydrochloric Acid SCHEMBL446819 0.66 ALDH1A1 (0.39)
SCHEMBL553587 0.65
SCHEMBL13799371 0.63
SCHEMBL3194621 0.63
SCHEMBL24029377 0.62 ACHE (0.35)
SCHEMBL818125 0.62
SCHEMBL817907 0.62
SCHEMBL817368 0.62

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2142516-B1 PYRIMIDINE HYDRAZIDE COMPOUNDS AS PGDS INHIBITORS SANOFI SA (FR) 2012-12-26 EP claimed
US-8258130-B2 Pyrimidine hydrazide compounds as PGDS inhibitors SANOFI (FR) 2012-09-04 US claimed
EP-1626963-B1 Substituted pyrazoline compounds, their preparation and use as medicaments ESTEVE LABOR DR (ES) 2012-08-15 EP claimed
US-20100048568-A1 PYRIMIDINE HYDRAZIDE COMPOUNDS AS PGDS INHIBITORS SANOFI-AVENTIS (FR) 2010-02-25 US claimed
EP-1991543-A1 4-PHENYL-THIAZOLE-5-CARBOXYLIC ACIDS AND 4-PHENYL-THIAZOLE-5-CARBOXYLIC ACID AMIDES AS PLK1 INHIBITORS F. Hoffmann-La Roche AG (CH) 2008-11-19 EP claimed
WO-2007096315-A1 4-PHENYL-THIAZOLE-5-CARBOXYLIC ACIDS AND 4-PHENYL-THIAZOLE-5-CARBOXYLIC ACID AMIDES AS PLK1 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2007-08-30 WO claimed
US-20070203210-A1 Thiazolyl-benzimidazoles BOYLAN JOHN FREDERICK 2007-08-30 US claimed
CN-1850779-A Beta-element nitrogenous derivative, and its preparing method and use UNIV SHENYANG PHARMACEUTICAL (CN) 2006-10-25 CN claimed
JP-63317093-A None JP disclosed
EP-4220130-A1 DEVICES, SYSTEMS, AND METHODS FOR AGROCHEMICAL DETECTION AND AGROCHEMICAL COMPOSITIONS Spogen Biotech Inc. (US) 2023-08-02 EP disclosed
EP-3976599-A1 PYRAZOLE-SUBSTITUTED PYRROLIDINONES AS HERBICIDES FMC CORPORATION (US) 2022-04-06 EP disclosed
EP-3625547-A1 DEVICES, SYSTEMS, AND METHODS FOR AGROCHEMICAL DETECTION AND AGROCHEMICAL COMPOSITIONS Spogen Biotech Inc. (US) 2020-03-25 EP disclosed
WO-2018213596-A1 DEVICES, SYSTEMS, AND METHODS FOR AGROCHEMICAL DETECTION AND AGROCHEMICAL COMPOSITIONS SPOGEN BIOTECH INC. (US) 2018-11-22 WO disclosed
EP-2970935-A1 COMPOSITIONS HAVING DICAMBA DECARBOXYLASE ACTIVITY AND METHODS OF USE Pioneer Hi-Bred International, Inc. (US) 2016-01-20 EP disclosed
EP-1537111-A1 HETEREOARYL NITRILE DERIVATIVES Novartis AG (CH) 2005-06-08 EP disclosed
EP-1499314-A1 N-ACYL PIPERIDINE DERIVATIVES FOR USE AS MELANOCORTIN RECEPTOR LIGANDS IN THE TREATMENT OF FEEDING DISORDERS The Procter & Gamble Company (US) 2005-01-26 EP disclosed
WO-2004020441-A1 HETEREOARYL NITRILE DERIVATIVES NOVARTIS AG (CH) 2004-03-11 WO disclosed
US-20040010010-A1 Melanocortin receptor ligands PROCTER & GAMBLE COMPANY, THE 2004-01-15 US disclosed
WO-2003092690-A1 N-ACYL PIPERIDINE DERIVATIVES FOR USE AS MELANOCORTIN RECEPTOR LIGANDS IN THE TREATMENT OF FEEDING DISORDERS THE PROCTER & GAMBLE COMPANY (US) 2003-11-13 WO disclosed
JP-S63317093-A PRODUCTION OF 2'-DEOXYRIBAVIRIN AJINOMOTO CO INC 1988-12-26 JP disclosed