⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL31296495 | 0.87 | MAOA (0.36) | — | |
| SCHEMBL31296456 | 0.87 | — | — | |
| SCHEMBL31296419 | 0.86 | MEN1 (0.37) | — | |
| SCHEMBL31296467 | 0.81 | KDM4E (0.38) | — | |
| SCHEMBL31296472 | 0.80 | SCN1A (0.37) | — | |
| SCHEMBL31296463 | 0.79 | ALDH1A1 (0.38) | — | |
| SCHEMBL31296485 | 0.79 | HPGD (0.31) | — | |
| SCHEMBL31296478 | 0.79 | IDO1 (0.30) | — | |
| SCHEMBL31296484 | 0.79 | GAA (0.34) | — | |
| SCHEMBL31296464 | 0.77 | CA12 (0.32) | — |
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 |