⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2003985 | 0.90 | ALDH1A1 (0.32) | — | |
| SCHEMBL2008632 | 0.87 | — | — | |
| SCHEMBL2006235 | 0.87 | — | — | |
| SCHEMBL2008866 | 0.83 | ALDH1A1 (0.35) | — | |
| SCHEMBL23682710 | 0.80 | TTR (0.42) | — | |
| SCHEMBL743899 | 0.80 | ALDH1A1 (0.36) | — | |
| SCHEMBL2004083 | 0.79 | — | — | |
| SCHEMBL7854986 | 0.77 | — | — | |
| SCHEMBL16878481 | 0.77 | — | — | |
| SCHEMBL10282070 | 0.77 | — | — |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1819667-B1 | SULFONAMIDE COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS | VIROBAY INC (US) | 2012-10-17 | — | — | EP | disclosed |
| US-8163735-B2 | Sulfonamide compounds as cysteine protease inhibitors | VIROBAY, INC. (US) | 2012-04-24 | — | — | US | disclosed |
| US-7960394-B2 | 3,8-dimethyl-2-[4-(3-piperidin-1-ylpropoxy)phenyl]-4(3H)-quinazolinone; 6-chloro-3-methyl-2-[4-(3-piperidin-1-ylpropoxy)phenyl]pyrido[3,4-d]-pyrimidin-4(3H)-one; 2-[4-(1-cyclopentyl-4-piperidinyloxy)phenyl]-3-methylpyrido[2,3-d]-pyrimidin-4(3H)-one; treats metabolic, nervous system, vascular disorders | BANYU PHARMACEUTICAL CO., LTD. (JP) | 2011-06-14 | — | — | US | disclosed |
| US-20090233909-A1 | Sulfonamide compounds as cysteine protease inhibitors | VIROBAY, INC. (US) | 2009-09-17 | — | — | US | disclosed |
| US-20080275069-A1 | Quinazoline Derivative | MSD K.K. (JP) | 2008-11-06 | — | — | 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 |
| EP-1757594-A1 | QUINAZOLINE DERIVATIVE | BANYU PHARMACEUTICAL CO., LTD. (JP) | 2007-02-28 | — | — | 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 |