⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28986830 | 0.90 | — | — | |
| SCHEMBL28587076 | 0.73 | HDAC6 (0.33) | — | |
| SCHEMBL28563031 | 0.72 | HDAC6 (0.32) | — | |
| SCHEMBL17487122 | 0.68 | — | — | |
| SCHEMBL1446057 | 0.67 | GBA1 (0.32) | — | |
| SCHEMBL2842374 | 0.66 | — | — | |
| SCHEMBL22715760 | 0.66 | — | — | |
| SCHEMBL4837241 | 0.66 | AAK1 (0.31) | — | |
| SCHEMBL4837235 | 0.66 | AAK1 (0.31) | — | |
| SCHEMBL23564665 | 0.66 | HDAC6 (0.36) | — |
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-112920065-A | Benzil compound and preparation method and application thereof | 上海中医药大学 | 2021-06-08 | — | — | CN | disclosed |