⚠ 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.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL25518227 | 0.79 | ALDH1A1 (0.39) | — | |
| SCHEMBL27966135 | 0.77 | — | — | |
| SCHEMBL11740630 | 0.77 | CHRNB2 (0.32) | — | |
| SCHEMBL10472231 | 0.75 | ALDH1A1 (0.43) | — | |
| SCHEMBL19168543 | 0.73 | POLB (0.39) | — | |
| SCHEMBL25518166 | 0.73 | CHRNB2 (0.43) | — | |
| SCHEMBL8847013 | 0.72 | — | — | |
| SCHEMBL6645773 | 0.71 | CHRNB2 (0.37) | — | |
| SCHEMBL2821988 | 0.71 | — | — | |
| SCHEMBL12121708 | 0.70 | — | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20170333456-A1 | Compositions and Methods of Diazeniumdiolate-based Prodrugs for Treating Cancer | Arizona Board of Regents on behalf of the Universi ty of Arizona (US) | 2017-11-23 | — | — | US | disclosed |
| EP-3215140-A1 | COMPOSITIONS AND METHODS OF DIAZENIUMDIOLATE-BASED PRODRUGS FOR TREATING CANCER | The Arizona Board of Regents On Behalf of the University of Arizona (US) | 2017-09-13 | — | — | EP | disclosed |
| WO-2016073835-A1 | COMPOSITIONS AND METHODS OF DIAZENIUMDIOLATE-BASED PRODRUGS FOR TREATING CANCER | THE ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA (US) | 2016-05-12 | — | — | WO | disclosed |
| EP-2547660-B1 | NITROXYL (HNO) RELEASING COMPOUNDS AND USES THEREOF IN TREATING DISEASES | US HEALTH (US) | 2015-01-07 | — | — | EP | disclosed |
| US-8633177-B2 | Nitroxyl (HNO) releasing compounds and uses thereof in treating diseases | THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) | 2014-01-21 | — | — | US | disclosed |
| US-20130065863-A1 | NITROXYL (HNO) RELEASING COMPOUNDS AND USES THEREOF IN TREATING DISEASES | THE ARIZONA BOARD OF REGENTS, ON BEHALF OF THE UNIVERSITY OF ARIZONA (US) | 2013-03-14 | — | — | US | disclosed |
| EP-2547660-A1 | NITROXYL (HNO) RELEASING COMPOUNDS AND USES THEREOF IN TREATING DISEASES | The United States Of America, As Represented By The Secretary, Department of Health and Human Services (US) | 2013-01-23 | — | — | EP | disclosed |
| WO-2011116336-A1 | NITROXYL (HNO) RELEASING COMPOUNDS AND USES THEREOF IN TREATING DISEASES | THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) | 2011-09-22 | — | — | WO | disclosed |