⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4697913 | 0.97 | — | — | |
| Hydrochloric Acid SCHEMBL27651142 | 0.95 | — | — | |
| Hydrochloric Acid SCHEMBL28297432 | 0.88 | — | — | |
| Benzene SCHEMBL28096982 | 0.67 | — | — | |
| SCHEMBL5653901 | 0.65 | — | — | |
| SCHEMBL28229477 | 0.65 | — | — | |
| SCHEMBL28096555 | 0.65 | — | — | |
| SCHEMBL30507521 | 0.65 | — | — | |
| SCHEMBL27676732 | 0.65 | — | — | |
| SCHEMBL27331102 | 0.65 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112094234-B | Synthesis method of 6-phenyl-2, 3,4, 7-tetrahydro-1H-3-azepine derivative | 山东理工大学 | 2023-07-07 | — | — | CN | disclosed |
| CN-112094234-A | Synthetic method of 6-phenyl-2, 3,4, 7-tetrahydro-1H-3-azepinol derivative | 山东理工大学 | 2020-12-18 | — | — | CN | disclosed |