⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5554585 | 0.81 | NOS1 (0.31) | — | |
| SCHEMBL8299815 | 0.80 | — | — | |
| SCHEMBL5451213 | 0.80 | — | — | |
| SCHEMBL13575606 | 0.80 | — | — | |
| SCHEMBL5155505 | 0.76 | MEN1 (0.33) | — | |
| SCHEMBL16109535 | 0.74 | — | — | |
| SCHEMBL26064924 | 0.74 | — | — | |
| SCHEMBL17342284 | 0.72 | — | — | |
| SCHEMBL6921399 | 0.72 | — | — | |
| SCHEMBL319650 | 0.72 | — | — |
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-1865940-A2 | ALPHA KETOAMIDE COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS | Applera Corporation (US) | 2007-12-19 | — | — | EP | disclosed |
| WO-2006102243-A2 | ALPHA KETOAMIDE COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS | APPLERA CORPORATION (US) | 2006-09-28 | — | — | WO | disclosed |