⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11862008 | 0.78 | — | — | |
| SCHEMBL29288613 | 0.78 | — | — | |
| SCHEMBL3345160 | 0.78 | HCAR3 (0.46) | — | |
| Hydrochloric Acid SCHEMBL30481544 | 0.77 | CYP2C9 (0.51) | — | |
| SCHEMBL32678784 | 0.75 | SMN1; SMN2 (0.50) | — | |
| SCHEMBL5554310 | 0.75 | SMN1; SMN2 (0.54) | — | |
| SCHEMBL32678778 | 0.75 | SMN1; SMN2 (0.50) | — | |
| SCHEMBL22110996 | 0.75 | SMN1; SMN2 (0.50) | — | |
| SCHEMBL7132304 | 0.75 | CXCR4 (0.50) | — | |
| SCHEMBL32678782 | 0.75 | SMN1; SMN2 (0.50) | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8163735-B2 | Sulfonamide compounds as cysteine protease inhibitors | VIROBAY, INC. (US) | 2012-04-24 | — | — | US | disclosed |
| US-20090233909-A1 | Sulfonamide compounds as cysteine protease inhibitors | VIROBAY, INC. (US) | 2009-09-17 | — | — | US | disclosed |
| EP-1866276-A1 | ALPHA KETOAMIDE COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS | CELERA GENOMICS (US) | 2007-12-19 | — | — | EP | disclosed |
| EP-1819667-A1 | SULFONAMIDE COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS | Bayer Schering Pharma Aktiengesellschaft (DE) | 2007-08-22 | — | — | EP | disclosed |
| WO-2006102423-A1 | ALPHA KETOAMIDE COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS | CELERA GENOMICS (US) | 2006-09-28 | — | — | WO | disclosed |
| WO-2006060810-A1 | SULFONAMIDE COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS | SCHERING AKTIENGESELLSCHAFT (DE) | 2006-06-08 | — | — | WO | disclosed |