⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8912801 | 0.72 | — | — | |
| SCHEMBL5169115 | 0.67 | APP (0.46) | — | |
| SCHEMBL5914620 | 0.60 | — | — | |
| SCHEMBL380104 | 0.58 | — | — | |
| SCHEMBL8149809 | 0.57 | — | — | |
| SCHEMBL15548548 | 0.56 | — | — | |
| SCHEMBL4434609 | 0.56 | BCHE (0.30) | — | |
| SCHEMBL5116169 | 0.56 | ALDH1A1 (0.33) | — | |
| SCHEMBL2402360 | 0.56 | — | — | |
| SCHEMBL6446069 | 0.55 | MMP2 (0.55) | — |
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-1194443-A1 | CYSTEINYL PROTEASE INHIBITORS | Merck & Co., Inc. (US) | 2002-04-10 | — | — | EP | claimed |
| WO-2000078794-A1 | CYSTEINYL PROTEASE INHIBITORS | MERCK & CO., INC. (US) | 2000-12-28 | — | — | WO | claimed |