⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28909536 | 0.85 | PTPN7 (0.31) | — | |
| SCHEMBL2121938 | 0.81 | GRIK1 (0.35) | — | |
| SCHEMBL25762162 | 0.80 | — | — | |
| SCHEMBL995365 | 0.77 | HMGCR (0.41) | — | |
| SCHEMBL31390455 | 0.76 | — | — | |
| SCHEMBL28909560 | 0.76 | TSHR (0.36) | — | |
| SCHEMBL28909478 | 0.76 | — | — | |
| SCHEMBL6957514 | 0.75 | — | — | |
| SCHEMBL31390449 | 0.74 | PTPN7 (0.50) | — | |
| SCHEMBL2123353 | 0.73 | ALDH1A1 (0.31) | — |
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 2 patents. 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 |
| CN-115322211-A | Preparation method of alkenyl-substituted-alpha-hydroxy borate compound | 香港科技大学深圳研究院 | 2022-11-11 | — | — | CN | disclosed |