⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL681860 | 0.87 | — | — | |
| SCHEMBL13680090 | 0.87 | — | — | |
| SCHEMBL13660441 | 0.83 | TRPA1 (0.56) | — | |
| SCHEMBL731324 | 0.83 | TRPA1 (0.56) | — | |
| SCHEMBL731323 | 0.83 | TRPA1 (0.56) | — | |
| SCHEMBL21831066 | 0.83 | TRPA1 (0.56) | — | |
| SCHEMBL6481571 | 0.79 | — | — | |
| SCHEMBL3627580 | 0.79 | — | — | |
| SCHEMBL6481787 | 0.79 | — | — | |
| SCHEMBL93753 | 0.79 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2488513-B1 | 2,6-Diaminopyridine compounds for treating diseases associated with amyloid proteins or for treating ocular diseases | AC IMMUNE SA (CH) | 2017-12-27 | — | — | EP | disclosed |