SCHEMBL1898515

SCHEMBL1898515

[CH2]C(CO[N+](=O)[O-])(CO[N+](=O)[O-])CO[N+](=O)[O-]

nearest known ligand 0.62

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.62

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

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
SCHEMBL5151075 0.85 ALDH1A1 (0.52) ALDH1A1
SCHEMBL1730047 0.83
SCHEMBL6360345 0.83 ALDH1A1 (0.62) ALDH1A1
SCHEMBL2801955 0.79 ALDH1A1 (0.56) ALDH1A1
Pentaerythritol Tetranitrate SCHEMBL920358 0.77 ALDH1A1 (1.00) ALDH1A1
Pentaerythritol Tetranitrate SCHEMBL37177 0.77 ALDH1A1 (1.00) ALDH1A1
SCHEMBL2802430 0.75 ALDH1A1 (0.52) ALDH1A1
Pentaerythritol Tetranitrate SCHEMBL5940085 0.74 ALDH1A1 (0.94) ALDH1A1
SCHEMBL2220993 0.72 ALDH1A1 (0.62) ALDH1A1
SCHEMBL7759159 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 47 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010005687-A1 COMPOSITIONS COMPRISING NITRIC OXIDE OR NITRIC OXIDE DONORS FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES OR TRAUMA UNIVERSITY OF ALABAMA HUNTSVILLE (US) 2010-01-14 WO claimed
WO-2009152479-A1 COMPOSITIONS COMPRISING NITRIC OXIDE OR NITRIC OXIDE DONORS FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES OF TRAUMA UNIVERSITY OF ALABAMA HUNTSVILLE (US) 2009-12-17 WO claimed
JP-2001517697-A 2001-10-09 JP claimed
WO-2001028534-A2 REDUCTION MODERATORS ALPHARMA-ISIS GMBH & CO. KG (DE) 2001-04-26 WO claimed
EP-1087926-A2 ANALYTIC SUBSTRATES AND ANTIOXIDATIVE AGENTS Alpharma-Isis GmbH & Co. KG (DE) 2001-04-04 EP claimed
EP-1019038-A1 PHARMACEUTICAL COMPOSITION FOR THE TREATMENT OF INFLAMMATORY BOWEL DISEASE AND IRRITABLE BOWEL SYNDROME RHODES, John (GB) 2000-07-19 EP claimed
WO-1999067430-A2 ANALYTIC SUBSTRATES AND ANTIOXIDATIVE AGENTS ALPHARMA-ISIS GMBH & CO. KG (DE) 1999-12-29 WO claimed
WO-1999016436-A1 PHARMACEUTICAL COMPOSITION FOR THE TREATMENT OF INFLAMMATORY BOWEL DISEASE AND IRRITABLE BOWEL SYNDROME RHODES JOHN (GB) 1999-04-08 WO claimed
US-5504117-A Pharmacologic preparation for the treatment of anal disorders NEPTUNE PHARMACEUTICAL CORPORATION (US) 1996-04-02 US claimed
US-9220744-B2 Compositions and methods for treating diseases LUMEN THERAPEUTICS, LLC (US) 2015-12-29 US disclosed
US-20140342986-A1 Compositions and methods for treating diseases LUMEN THERAPEUTICS, LLC (US) 2014-11-20 US disclosed
US-20110124584-A1 Compositions and methods for treating diseases ROTHBARD JONATHAN B 2011-05-26 US disclosed
US-7820626-B2 such as vulvodynia via comprising administering polyarginine; for treatment and/or prevention of glaucoma, pulmonary hypertension, asthma, chronic obstructive pulmonary disease, erectile dysfunction, Raynaud's syndrome, heparin overdose, vulvodynia, and wound healing agents LUMEN THERAPEUTICS, LLC (US) 2010-10-26 US disclosed
WO-2010005687-A1 COMPOSITIONS COMPRISING NITRIC OXIDE OR NITRIC OXIDE DONORS FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES OR TRAUMA UNIVERSITY OF ALABAMA HUNTSVILLE (US) 2010-01-14 WO disclosed
WO-1999016436-A1 PHARMACEUTICAL COMPOSITION FOR THE TREATMENT OF INFLAMMATORY BOWEL DISEASE AND IRRITABLE BOWEL SYNDROME RHODES JOHN (GB) 1999-04-08 WO disclosed
WO-1998015521-A1 NEW PENTAERYTHRITOL DERIVATIVES, THEIR PRODUCTION AND USE AND INTERMEDIATES FOR THEIR SYNTHESIS ISIS PHARMA GMBH (DE) 1998-04-16 WO disclosed
EP-0752858-A1 PHARMACEUTICAL PREPARATIONS AND MEDICAMENTS FOR THE PREVENTION AND TREATMENT OF ENDOTHELIAL DYSFUNCTION ISIS PHARMA GMBH (DE) 1997-01-15 EP disclosed
US-5504117-A Pharmacologic preparation for the treatment of anal disorders NEPTUNE PHARMACEUTICAL CORPORATION (US) 1996-04-02 US disclosed
WO-1995026725-A1 PHARMACEUTICAL PREPARATIONS AND MEDICAMENTS FOR THE PREVENTION AND TREATMENT OF ENDOTHELIAL DYSFUNCTION ISIS PHARMA GMBH (DE) 1995-10-12 WO disclosed
US-4118414-A PROPELLANTS EXXON RESEARCH & ENGINEERING CO. (US) 1978-10-03 US disclosed