⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2902659 | 1.00 | — | — | |
| SCHEMBL20818270 | 0.78 | — | — | |
| SCHEMBL17358 | 0.78 | — | — | |
| SCHEMBL23230897 | 0.78 | — | — | |
| Hydrochloric Acid SCHEMBL22204233 | 0.76 | — | — | |
| Hydrochloric Acid SCHEMBL1161046 | 0.76 | — | — | |
| Hydrochloric Acid SCHEMBL29187155 | 0.76 | — | — | |
| SCHEMBL92804 | 0.70 | CRBN (0.39) | — | |
| SCHEMBL12961205 | 0.70 | CRBN (0.39) | — | |
| SCHEMBL92799 | 0.70 | CRBN (0.39) | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20200331868-A1 | COMPOUND AS PPAR AGONIST AND APPLICATION THEREOF | USA Elixiria Biotech Inc. | 2020-10-22 | — | — | 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 |
| 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 |