⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13661930 | 0.81 | — | — | |
| SCHEMBL12213307 | 0.80 | — | — | |
| SCHEMBL13577515 | 0.79 | — | — | |
| SCHEMBL13661948 | 0.77 | SLC18A2 (0.30) | — | |
| SCHEMBL13661940 | 0.76 | TDP1 (0.36) | — | |
| SCHEMBL13661932 | 0.72 | MMP2 (0.38) | — | |
| SCHEMBL13661931 | 0.72 | — | — | |
| SCHEMBL24729631 | 0.72 | PDK1 (0.30) | — | |
| SCHEMBL23938218 | 0.71 | — | — | |
| SCHEMBL13661929 | 0.70 | — | — |
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-20090264431-A1 | NOVEL CATHEPSIN C INHIBITORS AND THEIR USE | GLAXO GROUP LIMITED (GB) | 2009-10-22 | — | — | US | disclosed |