⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12026384 | 0.84 | — | — | |
| SCHEMBL10155583 | 0.82 | — | — | |
| SCHEMBL9880277 | 0.76 | — | — | |
| SCHEMBL2755070 | 0.75 | — | — | |
| SCHEMBL17131642 | 0.70 | — | — | |
| SCHEMBL10193196 | 0.70 | — | — | |
| SCHEMBL2755101 | 0.69 | — | — | |
| SCHEMBL2755100 | 0.67 | — | — | |
| SCHEMBL19034530 | 0.64 | — | — | |
| SCHEMBL12733689 | 0.64 | — | — |
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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9732029-B2 | Nitroso compounds as nitroxyl donors and methods of use thereof | CARDIOXYL PHARMACEUTICALS, INC. (US) | 2017-08-15 | — | — | US | disclosed |
| US-9725402-B2 | Nitroso compounds as nitroxyl donors and methods of use thereof | CARDIOXYL PHARMACEUTICALS, INC. (US) | 2017-08-08 | — | — | US | disclosed |
| US-9656974-B2 | Oxazine derivatives | SHIONOGI & CO., LTD. (JP) | 2017-05-23 | — | — | US | disclosed |
| US-20160159757-A1 | OXAZINE DERIVATIVES | SHIONOGI & CO (JP) | 2016-06-09 | — | — | US | disclosed |
| US-9290466-B2 | Oxazine derivatives | SHIONOGI & CO., LTD. (JP) | 2016-03-22 | — | — | US | disclosed |
| US-20150166491-A1 | OXAZINE DERIVATIVES | SHIONOGI & CO (JP) | 2015-06-18 | — | — | US | disclosed |
| US-9018219-B2 | Fused aminodihydropyrimidine derivative | SHIONOGI & CO., LTD. (JP) | 2015-04-28 | — | — | US | disclosed |
| US-8999980-B2 | Oxazine derivatives | SHIONOGI & CO., LTD. (JP) | 2015-04-07 | — | — | US | disclosed |
| US-8927721-B2 | Naphthyridine derivative | SHIONOGI & CO., LTD. (JP) | 2015-01-06 | — | — | US | disclosed |
| US-20140336137-A1 | NOVEL NITROSO COMPOUNDS AS NITROXYL DONORS AND METHODS OF USE THEREOF | CARDIOXYL PHARMACEUTICALS, INC. | 2014-11-13 | — | — | US | disclosed |
| US-20130217705-A1 | NAPHTHYRIDINE DERIVATIVE | SHIONOGI & CO., LTD. (JP) | 2013-08-22 | — | — | US | disclosed |
| US-20130210839-A1 | FUSED AMINODIHYDROPYRIMIDINE DERIVATIVE | SHIONOGI & CO., LTD. (JP) | 2013-08-15 | — | — | US | disclosed |
| US-20130045951-A1 | Novel Nitroso Compounds as Nitroxyl Donors and Methods of Use Thereof | CARDIOXYL PHARMACEUTICALS, INC. (US) | 2013-02-21 | — | — | US | disclosed |
| US-8318705-B2 | Nitroso compounds as nitroxyl donors and methods of use thereof | CARDIOXYL PHARMACEUTICALS, INC. (US) | 2012-11-27 | — | — | US | disclosed |
| US-20120258961-A1 | 4-AMINO-1,3-THIAZINE OR OXAZINE DERIVATIVE | SHIONOGI & CO., LTD. (JP) | 2012-10-11 | — | — | US | disclosed |
| US-20120245155-A1 | FUSED HETEROCYCLIC COMPOUND HAVING AMINO GROUP | SHIONOGI & CO., LTD. (JP) | 2012-09-27 | — | — | US | disclosed |
| US-20120238557-A1 | AMINOTHIAZINE OR AMINOOXAZINE DERIVATIVE HAVING AMINO LINKER | SHIONOGI & CO., LTD. (JP) | 2012-09-20 | — | — | US | disclosed |
| US-20120015961-A1 | ISOTHIOUREA DERIVATIVES OR ISOUREA DERIVATIVES HAVING BACE1 INHIBITORY ACTIVITY | SHIONOGI & CO., LTD. (JP) | 2012-01-19 | — | — | US | disclosed |
| US-20090281062-A1 | NOVEL NITROSO COMPOUNDS AS NITROXYL DONORS AND METHODS OF USE THEREOF | EVOTEC LTD. (GB) | 2009-11-12 | — | — | US | disclosed |
| US-20070021350-A1 | Conjugates useful in the treatment of prostate cancer | BRADY STEPHEN F | 2007-01-25 | — | — | US | disclosed |