⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1496435 | 0.89 | — | — | |
| SCHEMBL22228986 | 0.79 | — | — | |
| SCHEMBL11198457 | 0.79 | — | — | |
| SCHEMBL7069432 | 0.77 | SMN1; SMN2 (0.38) | — | |
| SCHEMBL24423723 | 0.73 | KMT2A (0.34) | — | |
| SCHEMBL7184452 | 0.71 | SHBG (0.32) | — | |
| SCHEMBL3310474 | 0.70 | KCNA3 (0.31) | — | |
| SCHEMBL29102395 | 0.67 | — | — | |
| SCHEMBL27795238 | 0.67 | — | — | |
| SCHEMBL3351242 | 0.67 | — | — |
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-107531692-B | Therapeutic compounds and uses thereof | 基因泰克公司 | 2020-12-25 | — | — | CN | disclosed |