⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL20969305 | 0.97 | — | — | |
| SCHEMBL20385470 | 0.79 | — | — | |
| SCHEMBL20385283 | 0.79 | — | — | |
| SCHEMBL6468279 | 0.76 | — | — | |
| SCHEMBL637507 | 0.76 | — | — | |
| SCHEMBL15688606 | 0.72 | — | — | |
| SCHEMBL1234019 | 0.72 | — | — | |
| SCHEMBL9720162 | 0.72 | — | — | |
| SCHEMBL16395565 | 0.72 | — | — | |
| SCHEMBL9656038 | 0.72 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20230014907-A1 | INHIBITORS OF APOL1 AND METHODS OF USING SAME | VERTEX PHARMACEUTICALS INCORPORATED | 2023-01-19 | — | — | US | disclosed |