⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10724977 | 0.78 | — | — | |
| SCHEMBL9633638 | 0.74 | — | — | |
| SCHEMBL7358651 | 0.73 | — | — | |
| SCHEMBL11217578 | 0.72 | — | — | |
| SCHEMBL1681348 | 0.70 | — | — | |
| SCHEMBL7258111 | 0.68 | — | — | |
| SCHEMBL11483206 | 0.67 | — | — | |
| SCHEMBL11213861 | 0.67 | — | — | |
| SCHEMBL9501067 | 0.66 | — | — | |
| SCHEMBL6716933 | 0.65 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1311475-B1 | AMINOCYCLOHEXANE DERIVATIVES | HOFFMANN LA ROCHE (CH) | 2008-08-06 | — | — | EP | disclosed |
| EP-1358162-B1 | DIHYDROINDOLE AND TETRAHYDROQUINOLINE DERIVATIVES | HOFFMANN LA ROCHE (CH) | 2006-02-08 | — | — | EP | disclosed |