⚠ 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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL25302794 | 0.84 | — | — | |
| SCHEMBL255188 | 0.81 | — | — | |
| Hydrochloric Acid SCHEMBL4689253 | 0.79 | — | — | |
| Hydrochloric Acid SCHEMBL31554876 | 0.79 | — | — | |
| Pyrrolidine SCHEMBL27162253 | 0.77 | ALDH1A1 (0.36) | — | |
| SCHEMBL7650866 | 0.77 | CXCR4 (0.30) | — | |
| Oxalic Acid SCHEMBL21590826 | 0.75 | KDM4E (0.32) | — | |
| Oxalic Acid SCHEMBL21590825 | 0.75 | KDM4E (0.32) | — | |
| SCHEMBL2236109 | 0.75 | KCNH2 (0.33) | — | |
| Trifluoroacetic Acid SCHEMBL1246075 | 0.74 | EPHX2 (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 20 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8404708-B2 | Dual NK1/NK3 receptor antagonists | HOFFMANN-LA ROCHE INC. (US) | 2013-03-26 | — | — | US | disclosed |
| US-20110178055-A1 | DUAL NK1/NK3 RECEPTOR ANTAGONISTS | HOFFMANN TORSTEN | 2011-07-21 | — | — | US | disclosed |
| US-7939533-B2 | Dual NK1/NK3 receptor antagonists | HOFFMANN-LA ROCHE INC. (US) | 2011-05-10 | — | — | US | disclosed |
| EP-2010506-B1 | DIAZEPAN DERIVATIVES MODULATORS OF CHEMOKINE RECEPTORS | HOFFMANN LA ROCHE (CH) | 2010-08-04 | — | — | EP | disclosed |
| US-7632829-B2 | Diazepan derivatives | HOFFMANN-LA ROCHE INC. (US) | 2009-12-15 | — | — | US | disclosed |
| US-20090137806-A1 | DUAL NK1/NK3 RECEPTOR ANTAGONISTS | HOFFMANN TORSTEN | 2009-05-28 | — | — | 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 |
| US-7273865-B2 | Thiazolopyridine | HOFFMANN-LA ROCHE INC. (US) | 2007-09-25 | — | — | US | disclosed |
| EP-1643998-B1 | DUAL NK1/NK3 ANTAGONISTS FOR TREATING SCHIZOPHRENIA | HOFFMANN LA ROCHE (CH) | 2007-08-29 | — | — | EP | disclosed |
| EP-1615919-B1 | 7-([1,4]DIOXAN-2-YL)-BENZOTHIAZOLE DERIVATIVES AS ADENOSINE RECEPTOR LIGANDS | HOFFMANN LA ROCHE (CH) | 2007-08-22 | — | — | EP | disclosed |
| EP-1670805-A1 | THIAZOLOPYRIDINE DERIVATIVES AS ADENOSINE RECEPTOR LIGANDS | F. HOFFMANN-LA ROCHE AG (CH) | 2006-06-21 | — | — | EP | disclosed |
| EP-1643998-A1 | DUAL NK1/NK3 ANTAGONISTS FOR TREATING SCHIZOPHRENIA | F. HOFFMANN-LA ROCHE AG (CH) | 2006-04-12 | — | — | EP | disclosed |
| US-20050090533-A1 | Dual NK1/NK3 receptor antagonists | F. HOFMANN-LA ROCHE AG (CH) | 2005-04-28 | — | — | US | disclosed |
| WO-2005028484-A1 | THIAZOLOPYRIDINE DERIVATIVES AS ADENOSINE RECEPTOR LIGANDS | F. HOFFMANN-LA ROCHE AG (CH) | 2005-03-31 | — | — | WO | disclosed |
| US-6872833-B2 | Adenosine receptor ligands | HOFFMANN-LA ROCHE INC. (US) | 2005-03-29 | — | — | US | disclosed |
| US-20050065151-A1 | Thiazolopyridine | HOFFMANN-LA ROCHE INC. | 2005-03-24 | — | — | US | disclosed |
| WO-2005002577-A1 | DUAL NK1/NK3 ANTAGONISTS FOR TREATING SCHIZOPHRENIA | F. HOFFMANN-LA ROCHE AG (CH) | 2005-01-13 | — | — | WO | disclosed |
| US-20040204584-A1 | ADENOSINE RECEPTOR LIGANDS | F. HOFFMANN-LA ROCHE AG (CH) | 2004-10-14 | — | — | US | disclosed |