⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27849316 | 0.77 | — | — | |
| SCHEMBL968106 | 0.74 | — | — | |
| SCHEMBL13261994 | 0.74 | — | — | |
| SCHEMBL12199100 | 0.74 | — | — | |
| SCHEMBL19624810 | 0.74 | — | — | |
| SCHEMBL24316169 | 0.74 | — | — | |
| SCHEMBL17113754 | 0.70 | — | — | |
| SCHEMBL13284055 | 0.70 | — | — | |
| SCHEMBL5206378 | 0.70 | NOS3 (0.35) | — | |
| SCHEMBL9764955 | 0.69 | CRBN (0.41) | — |
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 |