⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL696010 | 0.90 | — | — | |
| Hydrochloric Acid SCHEMBL345144 | 0.87 | — | — | |
| Hydrochloric Acid SCHEMBL28038248 | 0.87 | ALDH1A1 (0.30) | — | |
| Hydrochloric Acid SCHEMBL1201605 | 0.87 | ALDH1A1 (0.30) | — | |
| Hydrochloric Acid SCHEMBL1273427 | 0.84 | — | — | |
| SCHEMBL1139426 | 0.78 | — | — | |
| SCHEMBL75984 | 0.78 | — | — | |
| SCHEMBL18614452 | 0.77 | — | — | |
| SCHEMBL23311387 | 0.75 | ALDH1A1 (0.46) | — | |
| SCHEMBL4355800 | 0.75 | ALDH1A1 (0.46) | — |
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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2511257-B1 | Composition comprising an alpha ketoamide compound as cysteine protease inhibitor | VIROBAY INC (US) | 2015-06-17 | — | — | EP | disclosed |
| US-8450373-B2 | Alpha ketoamide compounds as cysteine protease inhibitors | VIROBAY, INC. (US) | 2013-05-28 | — | — | US | disclosed |
| EP-1865940-B1 | ALPHA KETOAMIDE COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS | VIROBAY INC (US) | 2013-02-13 | — | — | EP | disclosed |
| EP-2511257-A2 | Alpha ketoamide compounds as cysteine protease inhibitors | ViroBay, Inc. (US) | 2012-10-17 | — | — | EP | disclosed |
| US-20120190714-A1 | ALPHA KETOAMIDE COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS | APPLERA CORPORATION (US) | 2012-07-26 | — | — | US | disclosed |
| US-8013183-B2 | Alpha ketoamide compounds as cysteine protease inhibitors | VIROBAY, INC. (US) | 2011-09-06 | — | — | US | disclosed |
| US-20100305331-A1 | ALPHA KETOAMIDE COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS | VIROBAY, INC. (US) | 2010-12-02 | — | — | US | disclosed |
| 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 |
| US-7488848-B2 | Alpha ketoamide compounds as cysteine protease inhibitors | VIROBAY, INC. (US) | 2009-02-10 | — | — | US | disclosed |
| EP-1866276-A1 | ALPHA KETOAMIDE COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS | CELERA GENOMICS (US) | 2007-12-19 | — | — | EP | disclosed |
| US-20070021353-A1 | Alpha ketoamide compounds as cysteine protease inhibitors | APPLERA CORPORATION (US) | 2007-01-25 | — | — | US | disclosed |
| WO-2006102423-A1 | ALPHA KETOAMIDE COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS | CELERA GENOMICS (US) | 2006-09-28 | — | — | WO | disclosed |