⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29629953 | 1.00 | — | — | |
| SCHEMBL29629942 | 0.88 | — | — | |
| SCHEMBL24484862 | 0.88 | — | — | |
| SCHEMBL29630230 | 0.85 | ANO1 (0.33) | — | |
| SCHEMBL29095634 | 0.85 | ANO1 (0.33) | — | |
| SCHEMBL24485424 | 0.85 | PKM (0.32) | — | |
| SCHEMBL29630020 | 0.85 | PKM (0.32) | — | |
| SCHEMBL24484858 | 0.84 | GABRA1 (0.32) | — | |
| SCHEMBL29629758 | 0.84 | GABRA1 (0.32) | — | |
| SCHEMBL24485593 | 0.83 | GAA (0.45) | — |
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-2022112352-A1 | HETEROCYCLE DERIVATIVES FOR TREATING TRPM3 MEDIATED DISORDERS | KATHOLIEKE UNIVERSITEIT LEUVEN (BE) | 2022-06-02 | — | — | WO | disclosed |