⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27500441 | 0.79 | — | — | |
| SCHEMBL3545881 | 0.79 | POLB (0.31) | — | |
| SCHEMBL25429553 | 0.79 | CA2 (0.39) | — | |
| SCHEMBL1185934 | 0.70 | — | — | |
| SCHEMBL5383 | 0.70 | — | — | |
| Sulfuric Acid SCHEMBL9355340 | 0.69 | ALDH1A1 (0.32) | — | |
| SCHEMBL4588217 | 0.69 | — | — | |
| SCHEMBL20606800 | 0.68 | PTGS2 (0.37) | — | |
| Sulfuric Acid SCHEMBL6390742 | 0.68 | CA12 (0.32) | — | |
| SCHEMBL7400833 | 0.68 | CYP1A2 (0.34) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-7696250-B2 | Alpha ketoamide compounds as cysteine protease inhibitors | VIROBAY, INC. (US) | 2010-04-13 | — | — | US | disclosed |
| US-20090170909-A1 | ALPHA KETOAMIDE COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS | VIROBAY, INC. (US) | 2009-07-02 | — | — | US | disclosed |