⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5878598 | 0.78 | — | — | |
| SCHEMBL6996308 | 0.78 | — | — | |
| SCHEMBL6330124 | 0.74 | KDM4E (0.32) | — | |
| SCHEMBL12899480 | 0.71 | CSNK2A1 (0.32) | — | |
| SCHEMBL13925692 | 0.69 | HPGD (0.36) | — | |
| SCHEMBL473425 | 0.67 | — | — | |
| SCHEMBL5828104 | 0.66 | GRIA1 (0.45) | — | |
| SCHEMBL5878329 | 0.65 | — | — | |
| SCHEMBL24529208 | 0.62 | — | — | |
| SCHEMBL23177857 | 0.62 | SLC6A2 (0.31) | — |
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-2021252849-A1 | INHIBITORS OF APOL1 AND USE OF THE SAME | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2021-12-16 | — | — | WO | disclosed |