⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4743574 | 0.70 | — | — | |
| SCHEMBL13072768 | 0.68 | — | — | |
| SCHEMBL8346910 | 0.68 | TP53 (0.32) | — | |
| SCHEMBL371255 | 0.67 | — | — | |
| SCHEMBL1988780 | 0.67 | — | — | |
| SCHEMBL7032277 | 0.67 | — | — | |
| SCHEMBL23501901 | 0.67 | — | — | |
| SCHEMBL5534044 | 0.67 | — | — | |
| SCHEMBL28541945 | 0.65 | CETP (0.32) | — | |
| Hydrochloric Acid SCHEMBL29655572 | 0.65 | — | — |
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-B1 | PYRROLE DERIVATIVES AS INHIBITORS OF CYTEINE PROTEASES | AMURA THERAPEUTICS LTD (GB) | 2009-03-04 | — | — | EP | disclosed |
| WO-2004007501-A1 | BIOLOGICALLY ACTIVE COMPOUNDS | AMURA THERAPEUTICS LIMITED (GB) | 2004-01-22 | — | — | WO | disclosed |