SCHEMBL7670645

SCHEMBL7670645

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

nearest known ligand 0.52

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.52

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
SCHEMBL7657871 0.84 ALDH1A1 (0.54) ALDH1A1
SCHEMBL7663993 0.82 ALDH1A1 (0.52) ALDH1A1
SCHEMBL7658497 0.79 ALDH1A1 (0.54) ALDH1A1
SCHEMBL4737789 0.78 ALDH1A1 (0.48) ALDH1A1
SCHEMBL10568506 0.78 ALDH1A1 (0.48) ALDH1A1
SCHEMBL7772642 0.74 ALDH1A1 (0.48) ALDH1A1
SCHEMBL7665015 0.71 ALDH1A1 (0.45) ALDH1A1
SCHEMBL7662112 0.70 ALDH1A1 (0.54) ALDH1A1
SCHEMBL3862398 0.70 ALDH1A1 (0.54) ALDH1A1
Pentaerythritol Tetranitrate SCHEMBL37177 0.69 ALDH1A1 (1.00) ALDH1A1

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6180664-B1 CARDIOVASCUALR DISORDERS; IMPOTENCY ISIS PHARMA GMBH (DE) 2001-01-30 US claimed
US-6365611-B1 HYDROPHILIC NITRATE VASODILATORS ISIS PHARMA GMBH (DE) 2002-04-02 US 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-1009730-A1 NEW PENTAERYTHRITOL DERIVATIVES, THEIR PRODUCTION AND USE AND INTERMEDIATES FOR THEIR SYNTHESIS ISIS PHARMA GmbH (DE) 2000-06-21 EP disclosed
EP-0988282-A2 NOVEL PENTAERYTHRITE DERIVATIVES, THE PRODUCTION AND USE THEREOF AND INTERMEDIATE PRODUCTS FOR THE SYNTHESIS OF THE SAME ISIS PHARMA GMBH (DE) 2000-03-29 EP disclosed
WO-1999067430-A2 ANALYTIC SUBSTRATES AND ANTIOXIDATIVE AGENTS ALPHARMA-ISIS GMBH & CO. KG (DE) 1999-12-29 WO disclosed
WO-1998056759-A2 NOVEL PENTAERYTHRITE DERIVATIVES, THE PRODUCTION AND USE THEREOF AND INTERMEDIATE PRODUCTS FOR THE SYNTHESIS OF THE SAME ISIS PHARMA GMBH (DE) 1998-12-17 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