⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22048215 | 0.85 | — | — | |
| SCHEMBL27982324 | 0.80 | HTR6 (0.33) | — | |
| SCHEMBL6947201 | 0.74 | HTR6 (0.33) | — | |
| SCHEMBL28958991 | 0.68 | MAOA (0.33) | — | |
| SCHEMBL326748 | 0.66 | CYP11B1 (0.38) | — | |
| SCHEMBL27706078 | 0.66 | SRD5A1 (0.40) | — | |
| SCHEMBL30858742 | 0.65 | HTR6 (0.36) | — | |
| SCHEMBL28959025 | 0.65 | HTR6 (0.30) | — | |
| SCHEMBL28647392 | 0.64 | HTR2A (0.38) | — | |
| SCHEMBL28383841 | 0.64 | KDM4C (0.37) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117776987-A | Benzo [7] cycloolefin derivative, pharmaceutical composition containing same and medical application of pharmaceutical composition | 苏州阿尔脉生物科技有限公司 | 2024-03-29 | — | — | CN | disclosed |