SCHEMBL6044309

SCHEMBL6044309

NCC[N+]1([O-])CCOCC1

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
SCHEMBL1415188 0.86 KEAP1 (0.35)
SCHEMBL14269772 0.81
SCHEMBL8846932 0.75 CDC25A (0.33)
SCHEMBL3755537 0.75
SCHEMBL665683 0.75
SCHEMBL3755540 0.75
SCHEMBL9896127 0.75
SCHEMBL8846944 0.71 CDC25A (0.38)
SCHEMBL3759399 0.71
SCHEMBL3759401 0.71

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10941115-B2 Kinase inhibitors OXULAR ACQUISITIONS LIMITED (GB) 2021-03-09 US disclosed
US-20190330155-A1 KINASE INHIBITORS OXULAR ACQUISITIONS LIMITED (GB) 2019-10-31 US disclosed
US-10392346-B2 Kinase inhibitors TOPIVERT PHARMA LIMITED (GB) 2019-08-27 US disclosed
US-10125100-B2 Kinase inhibitors RESPIVERT LIMITED 2018-11-13 US disclosed
US-20180319748-A1 KINASE INHIBITORS OXULAR ACQUISITIONS LIMITED (GB) 2018-11-08 US disclosed
US-20170253563-A1 KINASE INHIBITORS OXULAR ACQUISITIONS LIMITED (GB) 2017-09-07 US disclosed
US-9751837-B2 Kinase inhibitors RESPIVERT LIMITED (GB) 2017-09-05 US disclosed
EP-3201179-A1 DIARYL UREA DERIVATIVES AS P38 KINASE INHIBITORS Respivert Limited (GB) 2017-08-09 EP disclosed
US-20160102059-A1 KINASE INHIBITORS OXULAR ACQUISITIONS LIMITED (GB) 2016-04-14 US disclosed
WO-2016051187-A1 DIARYL UREA DERIVATIVES AS P38 KINASE INHIBITORS RESPIVERT LIMITED (GB) 2016-04-07 WO disclosed
EP-0678503-B1 Delta-amino-gamma-hydroxy-omega-aryl alkanoic acid amides with enzyme especially renin inhibiting activities NOVARTIS AG (CH) 1999-09-01 EP disclosed
US-5932566-A Ansamycin derivatives as antioncogene and anticancer agents PFIZER INC. (US) 1999-08-03 US disclosed
US-5705658-A HYPOTENSIVE AGENTS NOVARTIS CORPORATION (US) 1998-01-06 US disclosed
US-5654445-A INTERMEDIATES FOR RENIN INHIBITORS, HYPOTENSIVE AGENTS CIBA-GEIGY CORPORATION (US) 1997-08-05 US disclosed
US-5646143-A FOR TREATING A VARIETY OF CONDITIONS CIBA-GEIGY CORPORATION (US) 1997-07-08 US disclosed
US-5627182-A RENIN INHIBITORS FOR USE AS HYPOTENSIVE AGENTS CIBA GEIGY CORPORATION (US) 1997-05-06 US disclosed
US-5559111-A HYPOTENSIVE AGENTS; RENIN INHIBITORS; Aliskiren CIBA-GEIGY CORPORATION (US) 1996-09-24 US disclosed
EP-0706516-A1 ANSAMYCIN DERIVATIVES AS ANTIONCOGENE AND ANTICANCER AGENTS PFIZER INC. (US) 1996-04-17 EP disclosed
CN-1117960-A Novel delta-amino-gamma hydroxy-omega-aryl-alkanamides CIBA GEIGY AG (CH) 1996-03-06 CN disclosed
EP-0678503-A1 Delta-amino-gamma-hydroxy-omega-aryl alkanoic acid amides with enzyme especially renin inhibiting activities CIBA-GEIGY AG (CH) 1995-10-25 EP disclosed