⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17748440 | 0.79 | HTR1B (0.52) | — | |
| SCHEMBL9717049 | 0.78 | — | — | |
| SCHEMBL29349760 | 0.77 | TSHR (0.53) | — | |
| SCHEMBL127000 | 0.77 | TSHR (0.65) | — | |
| SCHEMBL22878 | 0.77 | TSHR (0.53) | — | |
| SCHEMBL29637724 | 0.77 | TSHR (0.65) | — | |
| Hydrochloric Acid SCHEMBL27467171 | 0.76 | TSHR (0.46) | — | |
| SCHEMBL29355560 | 0.74 | — | — | |
| Phosphine SCHEMBL22634020 | 0.74 | TSHR (0.62) | — | |
| SCHEMBL82813 | 0.74 | — | — |
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 15 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1244621-B1 | NITRILE DERIVATIVES AS CATHEPSIN K INHIBITORS | HOFFMANN LA ROCHE (CH) | 2006-09-13 | — | — | EP | claimed |
| US-6531612-B2 | Pyrrolidine-2-carboxylic acid cyano-methyl amide derivatives useful for treating diseases associated with cystein proteases, such as osteoporosis, osteoarthritis, rheumatoid arthritis, tumor metastasis, glomerulonephritis | HOFFMAN-LA ROCHE INC. | 2003-03-11 | — | — | US | claimed |
| EP-1244621-A1 | NITRILE DERIVATIVES AS CATHEPSIN K INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2002-10-02 | — | — | EP | claimed |
| US-6274586-B1 | SYNERGISTIC MIXTURE WITH METHYL (N-METHOXY)-PHENYLCARBAMATE DERIVATIVE | BASF AKTIENGESELLSCHAFT (DE) | 2001-08-14 | — | — | US | claimed |
| US-20010008901-A1 | Nitrile derivatives that inhibit cathepsin K | F. HOFFMANN-LA ROCHE AG (CH) | 2001-07-19 | — | — | US | claimed |
| WO-2001047886-A1 | NITRILE DERIVATIVES AS CATHEPSIN K INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2001-07-05 | — | — | WO | claimed |
| US-6221808-B1 | Method for controlling parasitic fungi in cultivated plants | BASF AKTIENGESELLSCHAFT (DE) | 2001-04-24 | — | — | US | claimed |
| EP-1244621-B1 | NITRILE DERIVATIVES AS CATHEPSIN K INHIBITORS | HOFFMANN LA ROCHE (CH) | 2006-09-13 | — | — | EP | disclosed |
| US-6531612-B2 | Pyrrolidine-2-carboxylic acid cyano-methyl amide derivatives useful for treating diseases associated with cystein proteases, such as osteoporosis, osteoarthritis, rheumatoid arthritis, tumor metastasis, glomerulonephritis | HOFFMAN-LA ROCHE INC. | 2003-03-11 | — | — | US | disclosed |
| EP-1063883-B1 | PESTICIDAL ADJUVANTS | DOW AGROSCIENCES LLC (US) | 2002-10-16 | — | — | EP | disclosed |
| EP-1244621-A1 | NITRILE DERIVATIVES AS CATHEPSIN K INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2002-10-02 | — | — | EP | disclosed |
| US-20010008901-A1 | Nitrile derivatives that inhibit cathepsin K | F. HOFFMANN-LA ROCHE AG (CH) | 2001-07-19 | — | — | US | disclosed |
| WO-2001047886-A1 | NITRILE DERIVATIVES AS CATHEPSIN K INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2001-07-05 | — | — | WO | disclosed |
| EP-1063883-A1 | PESTICIDAL ADJUVANTS | Dow Agrosciences LLC (US) | 2001-01-03 | — | — | EP | disclosed |
| WO-1999048359-A1 | PESTICIDAL ADJUVANTS | DOW AGROSCIENCES LLC (US) | 1999-09-30 | — | — | WO | disclosed |