SCHEMBL459420

SCHEMBL459420

NCCCO[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
Nitric Acid SCHEMBL220687 0.93 CA12 (0.40)
SCHEMBL457477 0.92
SCHEMBL7549199 0.90 CA12 (0.47)
SCHEMBL7548526 0.90 CA12 (0.47)
SCHEMBL8259026 0.90 CA12 (0.47)
SCHEMBL7527051 0.90 CA12 (0.47)
SCHEMBL7541404 0.90 CA12 (0.47)
SCHEMBL8260233 0.90 CA12 (0.47)
SCHEMBL7548673 0.90 CA12 (0.47)
SCHEMBL7551125 0.90 CA12 (0.47)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111423446-B Chlorin nitrate compound with light and sound sensitive activity, preparation method and application 大连理工大学 2022-07-08 CN claimed
EP-2887927-B1 EXTENDED RELEASE COMPOSITIONS OF AN AMINO-C2-C6-ALKYL NITRATE CARDIOLYNX AG (CH) 2018-03-28 EP claimed
US-20180036259-A1 NO DONORS FOR THE TREATMENT OF IMPAIRED TISSUE PERFUSION MIRANDAPHARMACEUTICALS AG (CH) 2018-02-08 US claimed
US-20180008558-A1 EXTENDED RELEASE COMPOSITIONS OF AN AMINOALKYL NITRATE CARDIOLYNX AG (CH) 2018-01-11 US claimed
EP-3238720-A1 ANTI-METHANOGENIC COMPOSITIONS AND USES THEREOF DSM IP Assets B.V. (NL) 2017-11-01 EP claimed
WO-2017137489-A1 ANTI-METHANOGENIC COMPOSITIONS AND USES THEREOF DSM IP ASSETS B.V. (NL) 2017-08-17 WO claimed
US-20170100350-A1 EXTENDED RELEASE COMPOSITIONS OF AN AMINOALKYL NITRATE CARDIOLYNX AG (CH) 2017-04-13 US claimed
WO-2016135262-A1 NO DONORS FOR THE TREATMENT OF IMPAIRED TISSUE PERFUSION CARDIOLYNX AG (CH) 2016-09-01 WO claimed
WO-2016135263-A1 NO DONORS FOR THE TREATMENT OF STRESS-INDUCED PULMONARY HAEMORRHAGE IN ANIMALS SCHERHAG ARMIN (CH) 2016-09-01 WO claimed
CN-104869985-A Extended release compositions of an aminoalkyl nitrate CARDIOLYNX AG 2015-08-26 CN claimed
US-20150216992-A1 EXTENDED RELEASE COMPOSITIONS OF AN AMINOALKYL NITRATE CARDIOLYNX AG (CH) 2015-08-06 US claimed
EP-2887927-A1 EXTENDED RELEASE COMPOSITIONS OF AN AMINOALKYL NITRATE Cardiolynx AG (CH) 2015-07-01 EP claimed
WO-2014029841-A1 EXTENDED RELEASE COMPOSITIONS OF AN AMINOALKYL NITRATE CARDIOLYNX AG (CH) 2014-02-27 WO claimed
EP-2887927-B1 EXTENDED RELEASE COMPOSITIONS OF AN AMINO-C2-C6-ALKYL NITRATE CARDIOLYNX AG (CH) 2018-03-28 EP disclosed
US-20180036259-A1 NO DONORS FOR THE TREATMENT OF IMPAIRED TISSUE PERFUSION MIRANDAPHARMACEUTICALS AG (CH) 2018-02-08 US disclosed
US-20180008558-A1 EXTENDED RELEASE COMPOSITIONS OF AN AMINOALKYL NITRATE CARDIOLYNX AG (CH) 2018-01-11 US disclosed
WO-2005060603-A2 NITRIC OXIDE RELEASING PYRUVATE COMPOUNDS, COMPOSITIONS AND METHODS OF USE NITROMED, INC. (US) 2005-07-07 WO disclosed
EP-0367019-B1 PHARMACEUTICAL COMPOSITIONS CONTAINING NITROXYALKYL AMINE WITH AN AMIDE FUNCTION, AND METHOD FOR THE PREPARATION OF THE COMPOUNDS Roche Diagnostics GmbH (DE) 1993-05-12 EP disclosed
US-5037849-A For treatment of heart and circulatory diseases BOEHRINGER MANNHEIM GMBH (DE) 1991-08-06 US disclosed
EP-0192829-A1 Amino propanol derivatives, process for their preparation, medicines containing these compounds and intermediates Roche Diagnostics GmbH (DE) 1986-09-03 EP disclosed