SCHEMBL1039978

SCHEMBL1039978

CNC(=O)C=N

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
SCHEMBL19006928 0.73
SCHEMBL6963893 0.72
SCHEMBL1630764 0.72 CHRNB2 (0.44)
SCHEMBL2486077 0.72 CHRNB2 (0.44)
SCHEMBL1630761 0.72 CHRNB2 (0.44)
SCHEMBL15829953 0.71
SCHEMBL15829920 0.71
SCHEMBL13191392 0.71
SCHEMBL5014594 0.69
SCHEMBL2845882 0.69

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230286920-A1 CYCLOOCTYNES FOR CLICK CHEMISTRY MASSACHUSETTS INST TECHNOLOGY (US) 2023-09-14 US disclosed
US-11673865-B2 Cyclooctynes for click chemistry MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2023-06-13 US disclosed
US-20220402876-A1 CYCLOOCTYNES FOR CLICK CHEMISTRY MASSACHUSETTS INSTITUTE OF TECHNOLOGY 2022-12-22 US disclosed
US-11377424-B1 Cyclooctynes for click chemistry MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2022-07-05 US disclosed
US-10676449-B2 Electronically activated strained alkynes WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2020-06-09 US disclosed
US-20190233385-A1 ELECTRONICALLY ACTIVATED STRAINED ALKYNES WISCONSIN ALUMNI RESEARCH FOUNDATION 2019-08-01 US disclosed
EP-3004066-B1 PROCESS FOR PREPARING 4,6-BIS(ARYLOXY)PYRIMIDINE DERIVATIVES CHEMINOVA AS (DK) 2018-04-11 EP disclosed
EP-2943485-B1 BICYCLIC AROMATIC CARBOXAMIDE COMPOUNDS USEFUL AS PIM KINASE INHIBITORS INCYTE HOLDINGS CORP (US) 2017-09-20 EP disclosed
US-9204652-B2 Antibacterial agent, substrate surface treatment method using the same, antibacterial agent composition, and substrate surface treatment method using the same CENTRAL GLASS COMPANY, LIMITED (JP) 2015-12-08 US disclosed
EP-2276732-B1 NOVEL ESTROGEN RECEPTOR LIGANDS KAROBIO AB (SE) 2015-05-20 EP disclosed
US-8367665-B2 Estrogen receptor ligands KARO BIO AB (SE) 2013-02-05 US disclosed
US-20120282641-A1 METHOD OF IDENTIFYING PEPTIDES INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2012-11-08 US disclosed
US-20110190294-A1 NOVEL ESTROGEN RECEPTOR LIGANDS OASMIA PHARMACEUTICAL AB (SE) 2011-08-04 US disclosed
EP-2276732-A1 NOVEL ESTROGEN RECEPTOR LIGANDS KARO BIO AB (SE) 2011-01-26 EP disclosed
WO-2010029002-A1 TRIAZOLE COMPOUNDS, THE USE THEREOF AND PREPARATIONS CONTAINING THESE COMPOUNDS BASF SE (DE) 2010-03-18 WO disclosed
WO-2009127686-A1 NOVEL ESTROGEN RECEPTOR LIGANDS KARO BIO AB (SE) 2009-10-22 WO disclosed
WO-2009124903-A1 SUBSTITUTED PYRIDAZINYLMETHYL SULFONAMIDES BASF SE (DE) 2009-10-15 WO disclosed
CN-100537537-C Fungicidal composition comprising a pyridylethylbenzamide derivative and a compound capable of inhibiting the electron transport of the respiratory chain in phytopathogenic fungal organisms BAYER CROPSCIENCE SA (FR) 2009-09-09 CN disclosed
CN-1618792-A Method of producing methoxyimino acetic amide BAYER AG (DE) 2005-05-25 CN disclosed
CN-1160313-C Process for preparing methoxyiminoacetamide 2004-08-04 CN disclosed