⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL2105727 | 0.97 | — | — | |
| SCHEMBL3072193 | 0.90 | — | — | |
| SCHEMBL6496540 | 0.90 | ALDH1A1 (0.39) | — | |
| Hydrochloric Acid SCHEMBL6495818 | 0.87 | ALDH1A1 (0.37) | — | |
| Hydrochloric Acid SCHEMBL2105122 | 0.87 | KDM4E (0.33) | — | |
| SCHEMBL1973159 | 0.87 | ALDH1A1 (0.42) | — | |
| Hydrochloric Acid SCHEMBL2105722 | 0.85 | ALDH1A1 (0.41) | — | |
| Trifluoroacetic Acid SCHEMBL2106912 | 0.85 | — | — | |
| SCHEMBL23555344 | 0.84 | KDM4E (0.48) | — | |
| SCHEMBL21938458 | 0.84 | LMNA (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 356 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3852880-B1 | USE OF A CATHEPSIN S INHIBITOR AGAINST THE FORMATION OF ANTI-DRUG ANTIBODIES | HOFFMANN LA ROCHE (CH) | 2024-08-07 | — | — | EP | claimed |
| CN-108699044-B | Novel pyrrolidine derivatives | 豪夫迈·罗氏有限公司 | 2022-03-04 | — | — | CN | claimed |
| US-20210315863-A1 | USE OF A CATHEPSIN S INHIBITOR AGAINST THE FORMATION OF ANTI-DRUG ANTIBODIES | HOFFMANN-LA ROCHE INC. (US) | 2021-10-14 | — | — | US | claimed |
| EP-3852880-A1 | USE OF A CATHEPSIN S INHIBITOR AGAINST THE FORMATION OF ANTI-DRUG ANTIBODIES | F. Hoffmann-La Roche AG (CH) | 2021-07-28 | — | — | EP | claimed |
| CN-112839716-A | Use of cathepsin S inhibitors to combat formation of anti-drug antibodies | 豪夫迈·罗氏有限公司 | 2021-05-25 | — | — | CN | claimed |
| US-10689339-B2 | Pyrrolidine derivatives | HOFFMANN-LA ROCHE INC. (US) | 2020-06-23 | — | — | US | claimed |
| WO-2020058297-A1 | USE OF A CATHEPSIN S INHIBITOR AGAINST THE FORMATION OF ANTI-DRUG ANTIBODIES | F. HOFFMANN-LA ROCHE AG (CH) | 2020-03-26 | — | — | WO | claimed |
| US-20190119295-A1 | COMPOSITIONS AND METHODS FOR TREATING CANCER | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA | 2019-04-25 | — | — | US | claimed |
| EP-3419970-A1 | NOVEL PYRROLIDINE DERIVATIVES | H. Hoffnabb-La Roche Ag (CH) | 2019-01-02 | — | — | EP | claimed |
| US-20180362461-A1 | NOVEL PYRROLIDINE DERIVATIVES | HOFFMANN-LA ROCHE INC. (US) | 2018-12-20 | — | — | US | claimed |
| WO-2003075836-A2 | CATHEPSIN CYSTEINE PROTEASE INHIBITORS | MERCK FROSST CANADA & CO. (CA) | 2003-09-18 | — | — | WO | claimed |
| WO-2003041649-A2 | CYANOALKYLAMINO DERIVATIVES AS PROTEASE INHIBITORS | MERCK FROSST CANADA & CO. (CA) | 2003-05-22 | — | — | WO | claimed |
| WO-2003029200-A2 | COMPOUNDS USEFUL AS REVERSIBLE INHIBITORS OF CYSTEINE PROTEASES | BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) | 2003-04-10 | — | — | WO | claimed |
| US-6525036-B2 | Treating post-menopausal osteoporosis. | MERCK & CO., INC. | 2003-02-25 | — | — | US | claimed |
| WO-2002098850-A2 | CHEMICAL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS AS CATHEPSIN S INHIBITORS | AXYS PHARMACEUTICALS, INC. (US) | 2002-12-12 | — | — | WO | claimed |
| EP-1248612-A1 | NOVEL COMPOUNDS AND COMPOSITIONS AS PROTEASE INHIBITORS | MERCK FROSST CANADA INC. (CA) | 2002-10-16 | — | — | EP | claimed |
| US-6395897-B1 | DRUGS FOR ENZYME INHIBITORS ANTICOAGULANTS AND TREATMENT OF AUTOIMMUNE DISEASE | BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. | 2002-05-28 | — | — | US | claimed |
| US-20020052378-A1 | Novel compounds and compositions as protease inhibitors | Celera Corporation | 2002-05-02 | — | — | US | claimed |
| WO-2001049288-A9 | NOVEL COMPOUNDS AND COMPOSITIONS AS PROTEASE INHIBITORS | MERCK FROSST CANADA INC (CA) | 2001-10-25 | — | — | WO | claimed |
| WO-2001049288-A1 | NOVEL COMPOUNDS AND COMPOSITIONS AS PROTEASE INHIBITORS | MERCK FROSST CANADA & CO. (CA) | 2001-07-12 | — | — | WO | claimed |