⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28414171 | 1.00 | ANPEP (0.43) | — | |
| SCHEMBL28421415 | 0.87 | — | — | |
| SCHEMBL28463686 | 0.83 | ANPEP (0.56) | — | |
| SCHEMBL28462261 | 0.83 | ANPEP (0.56) | — | |
| SCHEMBL28464463 | 0.83 | ANPEP (0.56) | — | |
| SCHEMBL28960012 | 0.83 | ANPEP (0.56) | — | |
| SCHEMBL28466591 | 0.83 | ANPEP (0.56) | — | |
| SCHEMBL17492163 | 0.83 | ANPEP (0.56) | — | |
| SCHEMBL28457949 | 0.83 | ANPEP (0.56) | — | |
| SCHEMBL28456663 | 0.83 | ANPEP (0.56) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109912518-B | Method for synthesizing dibenzo [ f, h ] quinoxaline, dibenzo [ f, h ] quinoxaline derivative, and light-emitting device | 株式会社半导体能源研究所 | 2022-10-14 | — | — | CN | disclosed |
| EP-1869041-A1 | TETRAHYDRO-PYRIDOAZEPIN-8-ONES AND RELATED COMPOUNDS FOR THE TREATMENT OF SCHIZOPHRENIA | Warner-Lambert Company LLC (US) | 2007-12-26 | — | — | EP | disclosed |
| US-20060234997-A1 | Tetrahydro-pyridoazepin-8-ones and related compounds for the treatment of schizophrenia | WARNER-LAMBERT COMPANY LLC | 2006-10-19 | — | — | US | disclosed |
| WO-2006103559-A1 | TETRAHYDRO-PYRIDOAZEPIN-8-ONES AND RELATED COMPOUNDS FOR THE TREATMENT OF SCHIZOPHRENIA | WARNER-LAMBERT COMPANY LLC (US) | 2006-10-05 | — | — | WO | disclosed |
| US-5262556-A | Alkylation or hydroxyalkylation by deprotonation | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1993-11-16 | — | — | US | disclosed |