⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL696109 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL5744025 | 0.97 | — | — | |
| Hydrochloric Acid SCHEMBL694961 | 0.97 | — | — | |
| SCHEMBL27972768 | 0.88 | — | — | |
| SCHEMBL27683336 | 0.88 | — | — | |
| SCHEMBL15989277 | 0.87 | — | — | |
| SCHEMBL22303148 | 0.87 | — | — | |
| SCHEMBL22303149 | 0.87 | — | — | |
| SCHEMBL16640291 | 0.86 | EPHX1 (0.39) | — | |
| SCHEMBL2292764 | 0.86 | EPHX1 (0.39) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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-20040077646-A1 | Indole nitriles | ROCHE PALO ALTO LLC | 2004-04-22 | — | — | US | disclosed |