⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24518317 | 0.95 | — | — | |
| SCHEMBL23314541 | 0.75 | TDP1 (0.30) | — | |
| SCHEMBL23314837 | 0.75 | TDP1 (0.30) | — | |
| SCHEMBL24518035 | 0.75 | HTT (0.46) | — | |
| SCHEMBL24518060 | 0.73 | RAB9A (0.37) | — | |
| SCHEMBL23314776 | 0.69 | RET (0.34) | — | |
| SCHEMBL24490416 | 0.69 | — | — | |
| SCHEMBL23736267 | 0.68 | SIGMAR1 (0.33) | — | |
| SCHEMBL23864847 | 0.67 | — | — | |
| SCHEMBL19688919 | 0.64 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2022123530-A1 | BORONIC ACID COMPOUND | 주식회사 엘지화학 | 2022-06-16 | — | — | WO | disclosed |