⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15800982 | 0.91 | THRA (0.36) | — | |
| SCHEMBL13578496 | 0.90 | KMT2A (0.42) | — | |
| SCHEMBL11203934 | 0.88 | EPHX1 (0.45) | — | |
| SCHEMBL14748265 | 0.84 | ALDH1A1 (0.34) | — | |
| SCHEMBL14089257 | 0.81 | SLC1A3 (0.31) | — | |
| SCHEMBL14089246 | 0.80 | FBP1 (0.33) | — | |
| SCHEMBL14089244 | 0.80 | SRC (0.38) | — | |
| SCHEMBL14034305 | 0.78 | — | — | |
| SCHEMBL31707440 | 0.70 | THRA (0.33) | — | |
| SCHEMBL526440 | 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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2582698-B1 | SUBSTITUTED 5-,6- AND 7-MEMBERED HETEROCYCLES, MEDICAMENTS CONTAINING SUCH COMPOUNDS, AND THEIR USE | VITAE PHARMACEUTICALS INC (US) | 2016-09-14 | — | — | EP | disclosed |
| EP-2582698-B1 | SUBSTITUTED 5-,6- AND 7-MEMBERED HETEROCYCLES, MEDICAMENTS CONTAINING SUCH COMPOUNDS, AND THEIR USE | VITAE PHARMACEUTICALS INC (US) | 2016-09-14 | — | — | EP | disclosed |
| US-9365574-B2 | Soluble guanylate cyclase activators | MERCK SHARP & DOHME CORP. (US) | 2016-06-14 | — | — | US | disclosed |
| 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 | disclosed |
| 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 | disclosed |
| 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 | disclosed |
| US-20150080363-A1 | SUBSTITUTED 5-,6- AND 7-MEMBERED HETEROCYCLES, MEDICAMENTS CONTAINING SUCH COMPOUNDS, AND THEIR USE | VITAE PHARMACEUTICALS, INC. | 2015-03-19 | — | — | US | disclosed |
| US-20150080363-A1 | SUBSTITUTED 5-,6- AND 7-MEMBERED HETEROCYCLES, MEDICAMENTS CONTAINING SUCH COMPOUNDS, AND THEIR USE | VITAE PHARMACEUTICALS, INC. | 2015-03-19 | — | — | US | disclosed |
| US-20150080363-A1 | SUBSTITUTED 5-,6- AND 7-MEMBERED HETEROCYCLES, MEDICAMENTS CONTAINING SUCH COMPOUNDS, AND THEIR USE | VITAE PHARMACEUTICALS, INC. | 2015-03-19 | — | — | US | disclosed |
| 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 | disclosed |
| 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 | disclosed |
| 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 | disclosed |
| 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 | disclosed |
| 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 | disclosed |
| EP-2590968-A1 | CYCLIC ETHER COMPOUNDS USEFUL AS KINASE INHIBITORS | Novartis AG (CH) | 2013-05-15 | — | — | EP | disclosed |
| 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 | disclosed |
| US-20130072492-A1 | SOLUBLE GUANYLATE CYCLASE ACTIVATORS | MERCK SHARP & DOHME LLC | 2013-03-21 | — | — | US | disclosed |
| WO-2012004217-A1 | CYCLIC ETHER COMPOUNDS USEFUL AS KINASE INHIBITORS | NOVARTIS AG (CH) | 2012-01-12 | — | — | WO | disclosed |
| 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 | disclosed |
| 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 | disclosed |