⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6209388 | 0.85 | CTSK (0.32) | — | |
| SCHEMBL4039767 | 0.82 | CTSK (0.37) | — | |
| SCHEMBL4044075 | 0.81 | — | — | |
| SCHEMBL6210999 | 0.80 | MAPK8 (0.30) | — | |
| SCHEMBL4041820 | 0.80 | KDM4E (0.38) | — | |
| SCHEMBL4040735 | 0.80 | CTSK (0.35) | — | |
| SCHEMBL6209845 | 0.79 | DPP4 (0.30) | — | |
| SCHEMBL6214307 | 0.78 | CTSK (0.31) | — | |
| SCHEMBL4042160 | 0.77 | PARP1 (0.34) | — | |
| SCHEMBL4044357 | 0.77 | MAPK1 (0.32) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1546150-A1 | BIOLOGICALLY ACTIVE COMPOUNDS | Amura Therapeutics Limited (GB) | 2005-06-29 | — | — | EP | claimed |
| WO-2004007501-A1 | BIOLOGICALLY ACTIVE COMPOUNDS | AMURA THERAPEUTICS LIMITED (GB) | 2004-01-22 | — | — | WO | claimed |
| EP-1546150-A1 | BIOLOGICALLY ACTIVE COMPOUNDS | Amura Therapeutics Limited (GB) | 2005-06-29 | — | — | EP | disclosed |
| WO-2004007501-A1 | BIOLOGICALLY ACTIVE COMPOUNDS | AMURA THERAPEUTICS LIMITED (GB) | 2004-01-22 | — | — | WO | disclosed |