⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11185591 | 0.76 | — | — | |
| SCHEMBL9688112 | 0.74 | — | — | |
| SCHEMBL5205836 | 0.73 | — | — | |
| SCHEMBL5720298 | 0.72 | — | — | |
| SCHEMBL11186326 | 0.71 | — | — | |
| SCHEMBL11194478 | 0.69 | — | — | |
| SCHEMBL17969850 | 0.68 | — | — | |
| SCHEMBL29945388 | 0.67 | — | — | |
| SCHEMBL10818989 | 0.64 | — | — | |
| SCHEMBL14471595 | 0.63 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1343561-B1 | SERINE PROTEASE INHIBITORS | TULARIK LTD (GB) | 2007-02-28 | — | — | EP | disclosed |
| EP-1343561-A1 | SERINE PROTEASE INHIBITORS | Tularik Limited (GB) | 2003-09-17 | — | — | EP | disclosed |
| WO-2002047762-A1 | SERINE PROTEASE INHIBITORS | TULARIK LIMITED (GB) | 2002-06-20 | — | — | WO | disclosed |