⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9216715 | 0.71 | — | — | |
| SCHEMBL682533 | 0.67 | — | — | |
| SCHEMBL5973258 | 0.67 | — | — | |
| SCHEMBL12182490 | 0.67 | — | — | |
| SCHEMBL17593302 | 0.67 | — | — | |
| SCHEMBL320080 | 0.67 | — | — | |
| SCHEMBL5492216 | 0.62 | — | — | |
| SCHEMBL12045801 | 0.62 | — | — | |
| SCHEMBL14119055 | 0.59 | — | — | |
| SCHEMBL14118465 | 0.59 | — | — |
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-115521325-A | Boronic acid derivatives | 首药控股(北京)股份有限公司 | 2022-12-27 | — | — | CN | disclosed |