⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14391018 | 0.85 | SMN1; SMN2 (0.31) | — | |
| SCHEMBL14422553 | 0.73 | — | — | |
| SCHEMBL16784849 | 0.72 | — | — | |
| SCHEMBL890924 | 0.70 | — | — | |
| SCHEMBL28172352 | 0.69 | — | — | |
| SCHEMBL28427720 | 0.69 | TSHR (0.42) | — | |
| SCHEMBL28171680 | 0.69 | — | — | |
| SCHEMBL1076257 | 0.68 | — | — | |
| SCHEMBL7092880 | 0.67 | TSHR (0.41) | — | |
| SCHEMBL27455171 | 0.62 | TSHR (0.33) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2022210479-A1 | USE OF AZEPANE DERIVATIVE FOR TREATMENT, AMELIORATION OR PREVENTION OF κ-OPIOID RECEPTOR-RELATED DISEASES | 日本ケミファ株式会社 | 2022-10-06 | — | — | WO | disclosed |
| US-20210289794-A1 | COMPOSITIONS AND RELATED METHODS FOR AGRICULTURE | FLAGSHIP PIONEERING INNOVATIONS V, INC. | 2021-09-23 | — | — | US | disclosed |
| EP-2448585-A1 | AZINONE-SUBSTITUTED AZEPINO[B]INDOLE AND PYRIDO-PYRROLO-AZEPINE MCH-1 ANTAGONISTS, METHODS OF MAKING, AND USE THEREOF | Albany Molecular Research, Inc. (US) | 2012-05-09 | — | — | EP | disclosed |
| WO-2011003005-A1 | AZINONE-SUBSTITUTED AZEPINO[B]INDOLE AND PYRIDO-PYRROLO-AZEPINE MCH-1 ANTAGONISTS, METHODS OF MAKING, AND USE THEREOF | ALBANY MOLECULAR RESEARCH, INC. (US) | 2011-01-06 | — | — | WO | disclosed |