⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21241071 | 0.74 | PKM (0.31) | — | |
| SCHEMBL31144866 | 0.72 | KDM5B (0.30) | — | |
| SCHEMBL19381554 | 0.68 | GUCY1B2 (0.36) | — | |
| SCHEMBL4547930 | 0.67 | PHGDH (0.49) | — | |
| SCHEMBL21233192 | 0.65 | PDE1A (0.34) | — | |
| SCHEMBL21233327 | 0.65 | KDM4C (0.38) | — | |
| SCHEMBL25722867 | 0.65 | PTGS1 (0.50) | — | |
| SCHEMBL21927844 | 0.65 | PHGDH (0.42) | — | |
| SCHEMBL19105638 | 0.65 | GSK3B (0.41) | — | |
| SCHEMBL14263740 | 0.65 | PHGDH (0.46) | — |
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-2024175804-A1 | NUCLEAR TRANSPORT MODULATORS | KATHOLIEKE UNIVERSITEIT LEUVEN (BE) | 2024-08-29 | — | — | WO | disclosed |