⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20215587 | 0.80 | CYP2A6 (0.35) | — | |
| SCHEMBL16257059 | 0.78 | — | — | |
| SCHEMBL21241460 | 0.72 | — | — | |
| SCHEMBL19346422 | 0.72 | APLNR (0.33) | — | |
| SCHEMBL15168389 | 0.72 | APLNR (0.33) | — | |
| SCHEMBL19202284 | 0.71 | KDM4E (0.33) | — | |
| SCHEMBL21829118 | 0.71 | — | — | |
| SCHEMBL20124441 | 0.71 | — | — | |
| SCHEMBL18544727 | 0.71 | TRPA1 (0.35) | — | |
| SCHEMBL18910458 | 0.70 | GABRA1 (0.35) | — |
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-2023280177-A1 | SMALL MOLECULE COMPOUND TARGETING BCL9/β-CATENIN INTERACTION | 南通聚太生物科技有限公司 | 2023-01-12 | — | — | WO | disclosed |