SCHEMBL2999774

SCHEMBL2999774

CC(=O)CC[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
SCHEMBL856486 0.84
SCHEMBL3022984 0.82 ALDH1A1 (0.50)
SCHEMBL9455702 0.80 ALDH1A1 (0.54)
SCHEMBL6839720 0.80 ALDH1A1 (0.54)
SCHEMBL27939233 0.77 MEN1 (0.65)
SCHEMBL70072 0.74
SCHEMBL28024577 0.74 LMNA (1.00)
SCHEMBL28162338 0.74
SCHEMBL30757517 0.74
SCHEMBL10512466 0.72

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3568402-B1 LANTHANIDE COMPLEXES COMPRISING DERIVATIVES OF TRIETHYLENETETRAMINE-N,N,N',N'',N''',N'''-HEXAACETIC ACID UNIV ORLEANS (FR) 2022-11-02 EP disclosed
US-11008358-B2 Synthesis of desosamines PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2021-05-18 US disclosed
US-11008358-B2 Synthesis of desosamines PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2021-05-18 US disclosed
US-20200347087-A1 SYNTHESIS OF DESOSAMINES PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2020-11-05 US disclosed
US-20200347087-A1 SYNTHESIS OF DESOSAMINES PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2020-11-05 US disclosed
US-10669288-B2 Lanthanide complexes based on triethylenetetramine-N,N,N′,N″,N′″,N′″-hexaacetic acid derivatives UNIVERSITE D'ORLEANS (FR) 2020-06-02 US disclosed
US-10544182-B2 Synthesis of desosamines Presidents and Fellow of Harvard College (US) 2020-01-28 US disclosed
US-20190352511-A1 LANTHANIDE COMPLEXES COMPRISING DENDRIMERS UNIVERSITE D'ORLEANS (FR) 2019-11-21 US disclosed
EP-3568402-A1 LANTHANIDE COMPLEXES COMPRISING DERIVATIVES OF TRIETHYLENETETRAMINE-N,N,N',N'',N''',N'''-HEXAACETIC ACID Universite D'Orleans (FR) 2019-11-20 EP disclosed
EP-3568401-A1 LANTHANIDE COMPLEXES COMPRISING DENDRIMERS Universite D'Orleans (FR) 2019-11-20 EP disclosed
EP-1392707-B1 NEW ANIONIC AND NEUTRAL COMPLEXES OF RUTHENIUM (II) WITH NITROGEN OXIDE SIGEA SRL (IT) 2005-11-09 EP disclosed
US-20040106799-A1 Anionic and neutral complexes of ruthenium (II) with nitrogen oxide SIGEA S.R.L. (IT) 2004-06-03 US disclosed
EP-1392707-A2 NEW ANIONIC AND NEUTRAL COMPLEXES OF RUTHENIUM (II) WITH NITROGEN OXIDE Sigea S.R.L. (IT) 2004-03-03 EP disclosed
WO-2002076998-A2 NEW ANIONIC AND NEUTRAL COMPLEXES OF RUTHENIUM (II) WITH NITROGEN OXIDE SIGEA S.R.L. (IT) 2002-10-03 WO disclosed
EP-0946537-A1 PROCESS FOR THE STEREOSELECTIVE PRODUCTION OF NITRO-ENAMINE COMPOUNDS Abbott Laboratories (US) 1999-10-06 EP disclosed
US-5827857-A BACTERICIDES AND MICROBIOCIDES; GRAMPOSITIVE BACTERIA, HEMOPHILUS INFLUENZA, ANAEROBIC MICROORGANISMS AND MYCOBACTERIA; LOW TOXICITY BAYER AKTIENGESELLSCHAFT (DE) 1998-10-27 US disclosed
WO-1998025917-A1 PROCESS FOR THE STEREOSELECTIVE PRODUCTION OF NITRO-ENAMINE COMPOUNDS ABBOTT LABORATORIES (US) 1998-06-18 WO disclosed
EP-0456826-A1 AMINE DERIVATIVES NIPPON SODA CO., LTD. (JP) 1991-11-21 EP disclosed
US-4069200-A STABILIZERS, ANTIOXIDANTS CIBA-GEIGY CORPORATION (US) 1978-01-17 US disclosed
US-3962377-A PHOTOCHEMICAL, OXIDATIVE, AND THERMAL STABILIZERS CIBA-GEIGY CORPORATION (US) 1976-06-08 US disclosed