⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1890583 | 0.61 | — | — | |
| SCHEMBL3489039 | 0.59 | — | — | |
| SCHEMBL955988 | 0.59 | — | — | |
| SCHEMBL4929964 | 0.57 | — | — | |
| SCHEMBL616019 | 0.53 | — | — | |
| SCHEMBL22216000 | 0.53 | — | — | |
| SCHEMBL31516402 | 0.51 | — | — | |
| SCHEMBL11615305 | 0.45 | — | — | |
| SCHEMBL693917 | 0.45 | GSK3B (1.00) | — | |
| SCHEMBL11457264 | 0.45 | — | — |
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 35 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9090605-B2 | Substituted 5-,6- and 7-membered heterocycles, medicaments containing such compounds, and their use | VITAE PHARMACEUTICALS, INC. (US) | 2015-07-28 | — | — | US | claimed |
| US-20150080363-A1 | SUBSTITUTED 5-,6- AND 7-MEMBERED HETEROCYCLES, MEDICAMENTS CONTAINING SUCH COMPOUNDS, AND THEIR USE | VITAE PHARMACEUTICALS, INC. | 2015-03-19 | — | — | US | claimed |
| US-8933072-B2 | Substituted 5-,6- and 7-membered heterocycles, medicaments containing such compounds, and their use | VITAE PHARMACEUTICALS, INC. (US) | 2015-01-13 | — | — | US | claimed |
| US-8927539-B2 | Cyclic inhibitors of 11β-hydroxysteroid dehydrogenase 1 based on the 1,3-oxazinan-2-one structure | VITAE PHARMACEUTICALS, INC. (US) | 2015-01-06 | — | — | US | claimed |
| US-8883778-B2 | Cyclic inhibitors of 11 beta-hydroxysteroid dehydrogenase 1 | VITAE PHARMACEUTICALS, INC. (US) | 2014-11-11 | — | — | US | claimed |
| EP-2448928-B1 | CYCLIC INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE 1 | VITAE PHARMACEUTICALS INC (US) | 2014-08-13 | — | — | EP | claimed |
| US-20130244993-A1 | SUBSTITUTED 5-,6- AND 7-MEMBERED HETEROCYCLES, MEDICAMENTS CONTAINING SUCH COMPOUNDS, AND THEIR USE | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2013-09-19 | — | — | US | claimed |
| EP-2582698-A1 | SUBSTITUTED 5-,6- AND 7-MEMBERED HETEROCYCLES, MEDICAMENTS CONTAINING SUCH COMPOUNDS, AND THEIR USE | Vitae Pharmaceuticals, Inc. (US) | 2013-04-24 | — | — | EP | claimed |
| US-20120232050-A1 | Cyclic Inhibitors of 11 beta-Hydroxysteroid Dehydrogenase 1 | VITAE PHARMACEUTICALS, INC. (US) | 2012-09-13 | — | — | US | claimed |
| US-20120208804-A1 | CYCLIC INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE 1 BASED ON THE 1,3 -OXAZINAN- 2 -ONE STRUCTURE | VITAE PHARMACEUTICALS, INC. (US) | 2012-08-16 | — | — | US | claimed |
| EP-2448928-A1 | CYCLIC INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE 1 | Vitae Pharmaceuticals, Inc. (US) | 2012-05-09 | — | — | EP | claimed |
| EP-2440537-A1 | CYCLIC INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE 1 BASED ON THE 1,3 -OXAZINAN- 2 -ONE STRUCTURE | Vitae Pharmaceuticals, Inc. (US) | 2012-04-18 | — | — | EP | claimed |
| WO-2011159760-A1 | SUBSTITUTED 5-,6- AND 7-MEMBERED HETEROCYCLES, MEDICAMENTS CONTAINING SUCH COMPOUNDS, AND THEIR USE | VITAE PHARMACEUTICALS, INC. (US) | 2011-12-22 | — | — | WO | claimed |
| WO-2011011123-A1 | CYCLIC INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE 1 BASED ON THE 1,3 -OXAZINAN- 2 -ONE STRUCTURE | VITAE PHARMACEUTICALS, INC. (US) | 2011-01-27 | — | — | WO | claimed |
| WO-2011002910-A1 | CYCLIC INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE 1 | VITAE PHARMACEUTICALS, INC. (US) | 2011-01-06 | — | — | WO | claimed |
| EP-0371312-B1 | Benzoxazine derivatives | MERCK PATENT GMBH (DE) | 1994-07-20 | — | — | EP | claimed |
| EP-0368160-A1 | Tetralin derivatives | MERCK PATENT GmbH (DE) | 1990-05-16 | — | — | EP | claimed |
| EP-4216961-A1 | COMPOSITIONS AND METHODS FOR TREATMENT OF CORONAVIRUS INFECTION | Lighthouse Pharmaceuticals, Inc. (US) | 2023-08-02 | — | — | EP | disclosed |
| US-5132307-A | TETRALIN COMPOUNDS | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1992-07-21 | — | — | US | disclosed |
| EP-0368160-A1 | Tetralin derivatives | MERCK PATENT GmbH (DE) | 1990-05-16 | — | — | EP | disclosed |