⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15808946 | 0.96 | — | — | |
| SCHEMBL424823 | 0.96 | — | — | |
| SCHEMBL28555074 | 0.92 | — | — | |
| SCHEMBL22814981 | 0.87 | ALDH1A1 (0.47) | — | |
| SCHEMBL22342942 | 0.74 | — | — | |
| SCHEMBL21453677 | 0.69 | — | — | |
| SCHEMBL20831284 | 0.69 | — | — | |
| SCHEMBL10785501 | 0.69 | — | — | |
| SCHEMBL22304146 | 0.69 | — | — | |
| SCHEMBL21610574 | 0.69 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-113164775-A | Polycyclic compounds and methods for rapid accelerated targeted degradation of fibrosarcoma polypeptides | 阿尔维纳斯运营股份有限公司 | 2021-07-23 | — | — | CN | disclosed |
| EP-1812436-A1 | METABOLITES OF CERTAIN [1,4]DIAZEPINO[6,7,1-IJ]QUINOLINE DERIVATIVES AND METHODS OF PREPARATION AND USE THEREOF | Wyeth (US) | 2007-08-01 | — | — | EP | disclosed |
| US-20060111305-A1 | Metabolites of certain [1,4]diazepino[6,7,1-ij]quinoline derivatives and methods of preparation and use thereof | WYETH (US) | 2006-05-25 | — | — | US | disclosed |
| WO-2006052886-A1 | METABOLITES OF CERTAIN [1,4]DIAZEPINO[6,7,1-IJ]QUINOLINE DERIVATIVES AND METHODS OF PREPARATION AND USE THEREOF | WYETH (US) | 2006-05-18 | — | — | WO | disclosed |