⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27359956 | 0.77 | — | — | |
| SCHEMBL1186226 | 0.76 | — | — | |
| SCHEMBL4268460 | 0.75 | — | — | |
| SCHEMBL8174497 | 0.75 | — | — | |
| SCHEMBL3669328 | 0.72 | — | — | |
| SCHEMBL13010781 | 0.71 | — | — | |
| SCHEMBL27637813 | 0.71 | — | — | |
| SCHEMBL21592982 | 0.69 | ELANE (0.41) | — | |
| SCHEMBL10510080 | 0.69 | NPC1 (0.34) | — | |
| SCHEMBL14344887 | 0.68 | — | — |
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-9758513-B2 | Dihydrooxazine or oxazepine derivatives having BACE1 inhibitory activity | SHIONOGI & CO., LTD. (JP) | 2017-09-12 | — | — | US | disclosed |
| WO-2017061534-A1 | DIHYDROTHIAZINE DERIVATIVES | SHIONOGI & CO., LTD. (JP) | 2017-04-13 | — | — | WO | disclosed |
| US-20170073337-A1 | DIHYDROTHIAZINE AND DIHYDROOXAZINE DERIVATIVES HAVING BACE1 INHIBITORY ACTIVITY | SHIONOGI & CO., LTD. (JP) | 2017-03-16 | — | — | US | disclosed |
| EP-3129370-A1 | DIHYDROTHIAZINE AND DIHYDROOXAZINE DERIVATIVES HAVING BACE1 INHIBITORY ACTIVITY | Shionogi & Co., Ltd. (JP) | 2017-02-15 | — | — | EP | disclosed |
| US-20170008881-A1 | DIHYDROOXAZINE OR OXAZEPINE DERIVATIVES HAVING BACE1 INHIBITORY ACTIVITY | SHIONOGI & CO (JP) | 2017-01-12 | — | — | US | disclosed |
| US-9540359-B2 | Dihydrooxazine or oxazepine derivatives having BACE1 inhibitory activity | SHIONOGI & CO., LTD. (JP) | 2017-01-10 | — | — | US | disclosed |
| WO-2015156421-A1 | DIHYDROTHIAZINE AND DIHYDROOXAZINE DERIVATIVES HAVING BACE1 INHIBITORY ACTIVITY | SHIONOGI & CO., LTD. (JP) | 2015-10-15 | — | — | WO | disclosed |
| US-20150266865-A1 | DIHYDROOXAZINE OR OXAZEPINE DERIVATIVES HAVING BACE1 INHIBITORY ACTIVITY | SHIONOGI & CO., LTD. (JP) | 2015-09-24 | — | — | US | disclosed |
| EP-2912035-A1 | DIHYDROOXAZINE OR OXAZEPINE DERIVATIVES HAVING BACE1 INHIBITORY ACTIVITY | Shionogi & Co., Ltd. (JP) | 2015-09-02 | — | — | EP | disclosed |
| WO-2014065434-A1 | DIHYDROOXAZINE OR OXAZEPINE DERIVATIVES HAVING BACE1 INHIBITORY ACTIVITY | SHIONOGI & CO., LTD. (JP) | 2014-05-01 | — | — | WO | disclosed |
| EP-0807105-B1 | PYRIDOPYRIMIDONES, QUINOLINES AND FUSED N-HERETOCYCLES AS BRADYKININ ANTAGONISTS | FUJISAWA PHARMACEUTICAL CO (JP) | 2004-06-16 | — | — | EP | disclosed |
| US-5994368-A | ANTIALLERGENS, ANTIINFLAMMATORY AGENTS, ANALGESICS | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 1999-11-30 | — | — | US | disclosed |
| EP-0807105-A1 | PYRIDOPYRIMIDONES, QUINOLINES AND FUSED N-HERETOCYCLES AS BRADYKININ ANTAGONISTS | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 1997-11-19 | — | — | EP | disclosed |
| WO-1996013485-A1 | PYRIDOPYRIMIDONES, QUINOLINES AND FUSED N-HERETOCYCLES AS BRADYKININ ANTAGONISTS | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 1996-05-09 | — | — | WO | disclosed |