⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2684334 | 0.79 | — | — | |
| SCHEMBL10138839 | 0.79 | — | — | |
| SCHEMBL8431478 | 0.75 | — | — | |
| SCHEMBL3361172 | 0.74 | ALDH1A1 (0.43) | — | |
| SCHEMBL2177171 | 0.74 | ALDH1A1 (0.30) | — | |
| SCHEMBL2914504 | 0.71 | — | — | |
| SCHEMBL5353428 | 0.71 | — | — | |
| SCHEMBL20146232 | 0.69 | — | — | |
| SCHEMBL2403021 | 0.69 | — | — | |
| SCHEMBL134615 | 0.69 | TSHR (0.36) | — |
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 16 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7662849-B2 | Amidino compounds as cysteine protease inhibitors | VIROBAY, INC. (US) | 2010-02-16 | — | — | US | disclosed |
| US-20070276019-A1 | Haloalkyl Containing Compounds as Cysteine Protease Inhibitors | AXYS PHARMACEUTICALS, INC. (US) | 2007-11-29 | — | — | US | disclosed |
| EP-1761485-A1 | AMIDINO COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS | Schering AG (DE) | 2007-03-14 | — | — | EP | disclosed |
| US-20060264464-A1 | Amidino compounds as cysteine protease inhibitors | QUEST DIAGNOSTICS INVESTMENTS LLC | 2006-11-23 | — | — | US | disclosed |
| US-7101880-B2 | Peptidic compounds as cysteine protease inhibitors | SCHERING AKTIENGESELLSCHAFT (DE) | 2006-09-05 | — | — | US | disclosed |
| US-20060122184-A1 | Cyanomethyl derivatives as cysteine protease inhibitors | AXYS PHARMACEUTICALS, INC. (US) | 2006-06-08 | — | — | US | disclosed |
| EP-1664003-A1 | HALOALKYL CONTAINING COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS | AXYS PHARMACEUTICALS, INC. (US) | 2006-06-07 | — | — | EP | disclosed |
| US-20050288336-A1 | Cysteine protease inhibitors | AXYS PHARMACEUTICALS, INC. (US) | 2005-12-29 | — | — | US | disclosed |
| EP-1569954-A1 | CYANOMETHYL DERIVATIVES AS CYSTEINE PROTEASE INHIBITORS | AXYS PHARMACEUTICALS, INC. (US) | 2005-09-07 | — | — | EP | disclosed |
| WO-2005028454-A1 | HALOALKYL CONTAINING COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS | AXYS PHARMACEUTICALS, INC. (US) | 2005-03-31 | — | — | WO | disclosed |
| EP-1503997-A1 | CYSTEINE PROTEASE INHIBITORS | AXYS PHARMACEUTICALS, INC. (US) | 2005-02-09 | — | — | EP | disclosed |
| WO-2004108661-A1 | AMIDINO COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS | AXYS PHARMACEUTICALS (US) | 2004-12-16 | — | — | WO | disclosed |
| US-20040127426-A1 | Peptidic compounds as cysteine protease inhibitors | AXYS PHARMACEUTICALS, INC. | 2004-07-01 | — | — | US | disclosed |
| WO-2004052921-A1 | CYANOMETHYL DERIVATIVES AS CYSTEINE PROTEASE INHIBITORS | AXYS PHARMACEUTICALS, INC. (US) | 2004-06-24 | — | — | WO | disclosed |
| WO-2004000838-A1 | PEPTIDIC COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS | AXYS PHARMACEUTICALS, INC. (US) | 2003-12-31 | — | — | WO | disclosed |
| WO-2003097617-A1 | CYSTEINE PROTEASE INHIBITORS | AXYS PHARMACEUTICALS, INC. (US) | 2003-11-27 | — | — | WO | disclosed |