⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL995365 | 0.81 | HMGCR (0.41) | — | |
| SCHEMBL28909536 | 0.79 | PTPN7 (0.31) | — | |
| SCHEMBL28909560 | 0.79 | TSHR (0.36) | — | |
| SCHEMBL31390449 | 0.78 | PTPN7 (0.50) | — | |
| SCHEMBL2121938 | 0.76 | GRIK1 (0.35) | — | |
| SCHEMBL28909520 | 0.76 | — | — | |
| SCHEMBL28909478 | 0.71 | — | — | |
| SCHEMBL6957514 | 0.70 | — | — | |
| SCHEMBL25762162 | 0.70 | — | — | |
| SCHEMBL28909548 | 0.70 | KDM4E (0.48) | — |
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-115322211-B | Preparation method of alkenyl substituted-alpha-hydroxy borate compound | 香港科技大学深圳研究院 | 2025-02-25 | — | — | CN | disclosed |