⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6700230 | 0.78 | — | — | |
| SCHEMBL6703681 | 0.73 | ALDH1A1 (0.32) | — | |
| SCHEMBL6747733 | 0.70 | — | — | |
| SCHEMBL6747670 | 0.69 | — | — | |
| SCHEMBL7034075 | 0.64 | — | — | |
| SCHEMBL6265799 | 0.63 | ALOX5 (0.39) | — | |
| SCHEMBL7145925 | 0.63 | — | — | |
| SCHEMBL7037426 | 0.63 | — | — | |
| SCHEMBL29052670 | 0.63 | CYP2D6 (0.38) | — | |
| SCHEMBL5362069 | 0.61 | CTSS (0.41) | — |
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-20040106805-A1 | Inhibitors of cruzipain and other cysteine proteases | AMURA THERAPEUTICS LIMITED (GB) | 2004-06-03 | — | — | US | disclosed |