⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2315459 | 1.00 | — | — | |
| SCHEMBL24299040 | 1.00 | — | — | |
| SCHEMBL1764597 | 0.80 | — | — | |
| SCHEMBL1911221 | 0.80 | — | — | |
| SCHEMBL1764600 | 0.80 | — | — | |
| Hydrochloric Acid SCHEMBL15541438 | 0.78 | — | — | |
| Hydrochloric Acid SCHEMBL15541637 | 0.78 | — | — | |
| SCHEMBL6488356 | 0.78 | — | — | |
| Hydrochloric Acid SCHEMBL15541437 | 0.78 | — | — | |
| SCHEMBL22081081 | 0.76 | — | — |
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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20140256743-A1 | CATHEPSIN CYSTEINE PROTEASE INHIBITORS | MERCK FROSST CANADA LTD. (CA) | 2014-09-11 | — | — | US | disclosed |
| US-8772336-B2 | Cathepsin cysteine protease inhibitors | MERCK FROSST CANADA LTD. (CA) | 2014-07-08 | — | — | US | disclosed |
| EP-1673336-B1 | CATHEPSIN CYSTEINE PROTEASE INHIBITORS | MERCK CANADA INC (CA) | 2014-06-04 | — | — | EP | disclosed |
| US-8618096-B2 | Prodrug compositions and methods for using the same in treating cancer and malaria | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2013-12-31 | — | — | US | disclosed |
| US-20130035312-A1 | CATHEPSIN CYSTEINE PROTEASE INHIBIORS | AXYS PHARMACEUTICALS, INC. (US) | 2013-02-07 | — | — | US | disclosed |
| US-8318748-B2 | Cathepsin cysteine protease inhibitors | Merck, Sharp & Dohme Corp. (US) | 2012-11-27 | — | — | US | disclosed |
| US-20110230446-A1 | CATHEPSIN CYSTEINE PROTEASE INHIBITORS | AXYS PHARMACEUTICALS, INC. (US) | 2011-09-22 | — | — | US | disclosed |
| US-20110190291-A1 | Prodrug and Fluoregenic Compositions and Methods for Using the Same | REGENTS OF THE UNIVERSITY OF CALIFORNIA, A CALIFORNIA CORPORATION (US) | 2011-08-04 | — | — | US | disclosed |
| US-7973037-B2 | Cathepsin cysteine protease inhibitors | AXYS PHARMACEUTICALS, INC. (US) | 2011-07-05 | — | — | US | disclosed |
| WO-2010011684-A2 | PRODRUG AND FLUOREGENIC COMPOSITIONS AND METHODS FOR USING THE SAME | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2010-01-28 | — | — | WO | disclosed |
| EP-1660436-A4 | CATHEPSIN INHIBITORS | MERCK FROSST CANADA LTD (CA) | 2006-11-22 | — | — | EP | disclosed |
| EP-1673336-A1 | CATHEPSIN CYSTEINE PROTEASE INHIBITORS | Merck Frosst Canada Ltd. (CA) | 2006-06-28 | — | — | EP | disclosed |
| EP-1660436-A1 | CATHEPSIN INHIBITORS | Merck Frosst Canada Ltd. (CA) | 2006-05-31 | — | — | EP | disclosed |
| EP-1482924-A4 | CATHEPSIN CYSTEINE PROTEASE INHIBITORS | MERCK FROSST CANADA INC (CA) | 2006-03-08 | — | — | EP | disclosed |
| US-20050240023-A1 | N1-(1-cyanocyclopropyl)-4-fluoro-N2-{(1S)-2,2,2-trifluoro-1-[4'-(methylsulfonyl)-1,1'-biphenyl-4-yl]ethyl}-L-leucinamide; osteoporosis and other bone loss disorders | MERCK CANADA INC. (CA) | 2005-10-27 | — | — | US | disclosed |
| WO-2005021487-A1 | CATHEPSIN INHIBITORS | MERCK FROSST CANADA LTD. (CA) | 2005-03-10 | — | — | WO | disclosed |
| WO-2005019161-A1 | CATHEPSIN CYSTEINE PROTEASE INHIBITORS | MERCK FROSST CANADA LTD. (CA) | 2005-03-03 | — | — | WO | disclosed |
| EP-1482924-A2 | CATHEPSIN CYSTEINE PROTEASE INHIBITORS | MERCK FROSST CANADA INC. (CA) | 2004-12-08 | — | — | EP | disclosed |
| US-20030232863-A1 | Such as N1-(1-cyanocyclopropyl)-4-fluoro-N2-((1S)-2,2,2-trifluoro-1-(4' -(methylsulfonyl)-1,1'-biphenyl-4-yl) ethyl)-L-leucinamide; for treating osteoporosis and other bone loss disorders | BAYLY CHRISTOPHER I (CA) | 2003-12-18 | — | — | US | disclosed |
| WO-2003075836-A2 | CATHEPSIN CYSTEINE PROTEASE INHIBITORS | MERCK FROSST CANADA & CO. (CA) | 2003-09-18 | — | — | WO | disclosed |