SCHEMBL6360345

SCHEMBL6360345

[CH2]C([CH2])(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
SCHEMBL1898515 0.83 ALDH1A1 (0.62) ALDH1A1
SCHEMBL1730047 0.83
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
SCHEMBL5151075 0.75 ALDH1A1 (0.52) 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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
WO-1999067430-A2 ANALYTIC SUBSTRATES AND ANTIOXIDATIVE AGENTS ALPHARMA-ISIS GMBH & CO. KG (DE) 1999-12-29 WO claimed
EP-1023059-B1 PHARMACEUTICAL PREPARATIONS ALPHARMA ISIS GMBH & CO KG (DE) 2005-12-21 EP disclosed
EP-1023059-B1 PHARMACEUTICAL PREPARATIONS ALPHARMA ISIS GMBH & CO KG (DE) 2005-12-21 EP disclosed
US-6365611-B1 HYDROPHILIC NITRATE VASODILATORS ISIS PHARMA GMBH (DE) 2002-04-02 US disclosed
WO-2001028534-A2 REDUCTION MODERATORS ALPHARMA-ISIS GMBH & CO. KG (DE) 2001-04-26 WO disclosed
EP-1087926-A2 ANALYTIC SUBSTRATES AND ANTIOXIDATIVE AGENTS Alpharma-Isis GmbH & Co. KG (DE) 2001-04-04 EP disclosed
US-6180664-B1 CARDIOVASCUALR DISORDERS; IMPOTENCY ISIS PHARMA GMBH (DE) 2001-01-30 US disclosed
EP-1023307-A1 NOVEL NITRIC ESTERS OF PENTAERYTHRITOL ISIS PHARMA GMBH (DE) 2000-08-02 EP disclosed
EP-1023059-A2 PHARMACEUTICAL PREPARATIONS ISIS PHARMA GmbH (DE) 2000-08-02 EP disclosed
WO-1999067430-A2 ANALYTIC SUBSTRATES AND ANTIOXIDATIVE AGENTS ALPHARMA-ISIS GMBH & CO. KG (DE) 1999-12-29 WO disclosed
US-5973011-A ADMINISTRATION OF 6 MG/KG/DAY OF AN ORGANIC NITRATE TO AN INDIVIDUAL TO MAINTAIN OR IMPROVE ENDOTHELIAL FUNCTION ISIS PHARMA GMBH (DE) 1999-10-26 US disclosed
WO-1999018930-A3 PHARMACEUTICAL PREPARATIONS ISIS PHARMA GMBH (DE) 1999-10-07 WO disclosed
WO-1999020638-A1 NOVEL NITRIC ESTERS OF PENTAERYTHRITOL ISIS PHARMA GMBH (DE) 1999-04-29 WO disclosed
WO-1999018930-A2 PHARMACEUTICAL PREPARATIONS ISIS PHARMA GMBH (DE) 1999-04-22 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
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