⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1161446 | 0.75 | — | — | |
| SCHEMBL3318581 | 0.75 | — | — | |
| SCHEMBL24706899 | 0.75 | — | — | |
| SCHEMBL13267597 | 0.74 | PLG (0.33) | — | |
| Hydrochloric Acid SCHEMBL30001946 | 0.73 | — | — | |
| Hydrochloric Acid SCHEMBL31401188 | 0.73 | — | — | |
| SCHEMBL110314 | 0.72 | — | — | |
| SCHEMBL4086483 | 0.72 | — | — | |
| SCHEMBL666843 | 0.72 | — | — | |
| SCHEMBL19457696 | 0.72 | ALDH1A1 (0.38) | — |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8623863-B2 | Disubstituted azepan orexin receptor antagonists | MERCK SHARP & DOHME CORP. (US) | 2014-01-07 | — | — | US | disclosed |
| EP-2348846-B1 | DISUBSTITUTED AZEPAN OREXIN RECEPTOR ANTAGONISTS | MERCK SHARP & DOHME (US) | 2013-08-28 | — | — | EP | disclosed |
| US-20110207715-A1 | Disubstituted Azepan Orexin Receptor Antagonists | MERCK SHARP & DOHME LLC | 2011-08-25 | — | — | US | disclosed |
| EP-2010506-B1 | DIAZEPAN DERIVATIVES MODULATORS OF CHEMOKINE RECEPTORS | HOFFMANN LA ROCHE (CH) | 2010-08-04 | — | — | EP | disclosed |
| WO-2010048017-A1 | DISUBSTITUTED AZEPAN OREXIN RECEPTOR ANTAGONISTS | MERCK SHARP & DOHME CORP. (US) | 2010-04-29 | — | — | WO | disclosed |
| US-7632829-B2 | Diazepan derivatives | HOFFMANN-LA ROCHE INC. (US) | 2009-12-15 | — | — | US | disclosed |
| EP-2010506-A1 | DIAZEPAN DERIVATIVES MODULATORS OF CHEMOKINE RECEPTORS | F. Hoffmann-Roche AG (CH) | 2009-01-07 | — | — | EP | disclosed |
| WO-2007122103-A1 | DIAZEPAN DERIVATIVES MODULATORS OF CHEMOKINE RECEPTORS | F. HOFFMANN-LA ROCHE AG (CH) | 2007-11-01 | — | — | WO | disclosed |
| US-20070249589-A1 | Novel diazepan derivatives | F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) | 2007-10-25 | — | — | US | disclosed |