⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12521914 | 0.67 | — | — | |
| SCHEMBL12026386 | 0.64 | — | — | |
| SCHEMBL9210760 | 0.59 | — | — | |
| SCHEMBL9880277 | 0.59 | — | — | |
| SCHEMBL9882952 | 0.57 | — | — | |
| SCHEMBL11823443 | 0.50 | — | — | |
| SCHEMBL27604043 | 0.46 | — | — | |
| SCHEMBL504428 | 0.45 | — | — | |
| Hydrochloric Acid SCHEMBL8039204 | 0.42 | — | — | |
| Hydrochloric Acid SCHEMBL22492262 | 0.42 | — | — |
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 14 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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-20140235626-A1 | PYRIDINE DERIVATIVES AND A PHARMACEUTICAL COMPOSITION FOR INHIBITING BACE1 CONTAINING THEM | SHIONOGI & CO., LTD. (JP) | 2014-08-21 | — | — | 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-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 |