⚠ 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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL4803103 | 0.75 | HRH4 (0.31) | — | |
| Trifluoroacetic Acid SCHEMBL4803095 | 0.75 | HRH4 (0.31) | — | |
| SCHEMBL5763719 | 0.71 | — | — | |
| SCHEMBL5763721 | 0.71 | — | — | |
| SCHEMBL5760969 | 0.67 | — | — | |
| SCHEMBL5760971 | 0.67 | — | — | |
| SCHEMBL26599372 | 0.66 | KDM4E (0.36) | — | |
| SCHEMBL4803687 | 0.65 | — | — | |
| SCHEMBL4803680 | 0.65 | — | — | |
| SCHEMBL28212402 | 0.62 | MEN1 (0.41) | — |
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-A1 | NOVEL AMINOCYCLOHEXANE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2003-05-21 | — | — | EP | disclosed |
| WO-2002014267-A1 | NOVEL AMINOCYCLOHEXANE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2002-02-21 | — | — | WO | disclosed |