⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6210310 | 0.81 | — | — | |
| SCHEMBL4043695 | 0.81 | ELOVL6 (0.35) | — | |
| SCHEMBL4046128 | 0.80 | KDM4E (0.36) | — | |
| SCHEMBL4043931 | 0.79 | ELANE (0.30) | — | |
| SCHEMBL4043608 | 0.78 | PKM (0.30) | — | |
| SCHEMBL4046518 | 0.77 | ESR1 (0.31) | — | |
| SCHEMBL4044854 | 0.77 | FKBP1A (0.37) | — | |
| SCHEMBL4038909 | 0.77 | STS (0.35) | — | |
| SCHEMBL6209349 | 0.75 | — | — | |
| SCHEMBL4041682 | 0.72 | CTSK (0.33) | — |
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 2 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 |