⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1336592 | 0.71 | — | — | |
| Hydrochloric Acid SCHEMBL9958491 | 0.70 | GSK3A (0.39) | — | |
| Hydrochloric Acid SCHEMBL9957981 | 0.70 | GSK3A (0.39) | — | |
| Hydrochloric Acid SCHEMBL1236737 | 0.70 | GSK3A (0.39) | — | |
| Hydrochloric Acid SCHEMBL29828683 | 0.69 | — | — | |
| SCHEMBL21459608 | 0.68 | — | — | |
| SCHEMBL10952924 | 0.68 | — | — | |
| SCHEMBL2219404 | 0.65 | — | — | |
| SCHEMBL72400 | 0.65 | — | — | |
| SCHEMBL1199564 | 0.62 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7442693-B2 | Diazepine compounds as ligands of the melanocortin 1 and/or 4 receptors | SMITHKLINE BEECHAM CORPORATION (US) | 2008-10-28 | — | — | US | disclosed |
| US-20070270411-A1 | Novel Diazepine Compounds as Ligands of the Melanocortin 1 and/or 4 Receptors | SMITHKLINE BEECHAM CORPORATION | 2007-11-22 | — | — | US | disclosed |
| WO-2005118573-A1 | NOVEL DIAZEPINE COMPOUNDS AS LIGANDS OF THE MELANOCORTIN 1 AND/OR 4 RECEPTORS | SMITHKLINE BEECHAM CORPORATION (US) | 2005-12-15 | — | — | WO | disclosed |