⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5353428 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL2917022 | 0.97 | — | — | |
| Hydrochloric Acid SCHEMBL5563035 | 0.97 | — | — | |
| SCHEMBL2403021 | 0.81 | — | — | |
| SCHEMBL8431478 | 0.76 | — | — | |
| SCHEMBL27450329 | 0.74 | — | — | |
| SCHEMBL3610331 | 0.71 | — | — | |
| SCHEMBL13975739 | 0.71 | — | — | |
| SCHEMBL8021749 | 0.71 | — | — | |
| SCHEMBL2850539 | 0.71 | — | — |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2020119819-A1 | BENZAMIDES OF PYRAZOLYL-AMINO-PYRIMIDINYL DERIVATIVES, AND COMPOSITIONS AND METHODS THEREOF | LYNK PHARMACEUTICALS CO. LTD. (CN) | 2020-06-18 | — | — | WO | disclosed |
| EP-1028942-B1 | DIPEPTIDE NITRILES | NOVARTIS AG (CH) | 2010-09-01 | — | — | EP | disclosed |
| US-20080027060-A1 | DIPEPTIDE NITRILES | ALTMANN EVA | 2008-01-31 | — | — | US | disclosed |
| US-20060235220-A1 | Dipeptide nitriles | MISSBACH MARTIN | 2006-10-19 | — | — | US | disclosed |
| EP-1492760-A1 | PROCESS FOR THE PREPARATION OF ENANTIOMERICALLY ENRICHED COMPOUNDS | DSM IP Assets B.V. (NL) | 2005-01-05 | — | — | EP | disclosed |
| US-6759428-B2 | SUCH AS N-((1,2)-2-(((CYANO(CYCLOPROPYL)METHYL)AMINO)CARBONYL) CYCLOHEXYL)-1H-INDOLE-2-CARBOXAMIDE; CATHEPSIN K INHIBITORS | ROCHE PALO ALTO LLC | 2004-07-06 | — | — | US | disclosed |
| US-20040110806-A1 | Dipeptide derivatives | ALTMANN EVA (CH) | 2004-06-10 | — | — | US | disclosed |
| US-20040077646-A1 | Indole nitriles | ROCHE PALO ALTO LLC | 2004-04-22 | — | — | US | disclosed |
| US-20040029814-A1 | Dipeptide nitriles | ALTMANN EVA (CH) | 2004-02-12 | — | — | US | disclosed |
| WO-2003087033-A1 | PROCESS FOR THE PREPARATION OF ENANTIOMERICALLY ENRICHED COMPOUNDS | DSM IP ASSETS B.V. (NL) | 2003-10-23 | — | — | WO | disclosed |
| US-6353017-B1 | INHIBITORS OF CATHESPINS USING DIPEPTIDE NITRILES AS ANTIINFLAMMATORY AGENTS AND ANTIARTHRITIC AGENTS | NOVARTIS AG (CH) | 2002-03-05 | — | — | US | disclosed |