⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL628655 | 0.78 | — | — | |
| SCHEMBL31467964 | 0.76 | — | — | |
| SCHEMBL1295553 | 0.74 | — | — | |
| SCHEMBL1696338 | 0.74 | — | — | |
| SCHEMBL5147496 | 0.74 | — | — | |
| SCHEMBL1823076 | 0.74 | — | — | |
| SCHEMBL14039776 | 0.74 | KMT2A (0.41) | — | |
| SCHEMBL11538297 | 0.72 | ALOX5 (0.33) | — | |
| SCHEMBL5105458 | 0.72 | — | — | |
| SCHEMBL15009038 | 0.71 | KEAP1 (0.60) | — |
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-117384124-A | HDAC inhibitors, compositions and uses thereof | 安徽中医药大学 | 2024-01-12 | — | — | CN | disclosed |