⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5760971 | 1.00 | — | — | |
| SCHEMBL5763721 | 0.84 | — | — | |
| SCHEMBL5763719 | 0.84 | — | — | |
| SCHEMBL5763815 | 0.76 | — | — | |
| SCHEMBL5762019 | 0.73 | — | — | |
| SCHEMBL5762021 | 0.73 | — | — | |
| SCHEMBL4803680 | 0.73 | — | — | |
| SCHEMBL4803687 | 0.73 | — | — | |
| SCHEMBL3644299 | 0.73 | ALDH1A1 (0.32) | — | |
| Alcohol SCHEMBL9949940 | 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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1458683-B1 | HETEROARYL-SUBSTITUTED AMINOCYCLOHEXANE DERIVATIVES | HOFFMANN LA ROCHE (CH) | 2006-11-22 | — | — | EP | disclosed |
| US-7012077-B2 | Substituted cyclohexane derivatives | HOFFMANN-LA ROCHE INC. (US) | 2006-03-14 | — | — | US | disclosed |
| EP-1458683-A1 | HETEROARYL-SUBSTITUTED AMINOCYCLOHEXANE DERIVATIVES | F.HOFFMANN-LA ROCHE AG (CH) | 2004-09-22 | — | — | EP | disclosed |
| US-20030186984-A1 | Substituted cyclohexane derivatives | HOFFMAN-LA ROCHE INC. | 2003-10-02 | — | — | US | disclosed |
| WO-2003053933-A1 | HETEROARYL-SUBSTITUTED AMINOCYCLOHEXANE DERIVATIVES | F.HOFFMANN-LA ROCHE AG (CH) | 2003-07-03 | — | — | WO | disclosed |