⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23857751 | 0.79 | GRIK1 (0.32) | — | |
| SCHEMBL18969755 | 0.77 | CTSK (0.30) | — | |
| SCHEMBL3963654 | 0.73 | PTPRB (0.34) | — | |
| SCHEMBL1027710 | 0.70 | — | — | |
| SCHEMBL23856930 | 0.70 | — | — | |
| SCHEMBL23856676 | 0.70 | — | — | |
| SCHEMBL13259166 | 0.70 | MEN1 (0.48) | — | |
| SCHEMBL10477516 | 0.67 | TSHR (0.35) | — | |
| SCHEMBL17274540 | 0.67 | TSHR (0.35) | — | |
| SCHEMBL23856832 | 0.66 | PTPRB (0.30) | — |
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-119219681-A | Method for synthesizing axial chiral organoboron compounds | 合成化学暨分子生物学有限公司 | 2024-12-31 | — | — | CN | disclosed |