⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5358384 | 0.75 | SMN1; SMN2 (0.37) | — | |
| SCHEMBL5070064 | 0.75 | HSD11B1 (0.32) | — | |
| SCHEMBL5359018 | 0.71 | — | — | |
| SCHEMBL14808769 | 0.67 | CYP2C19 (0.34) | — | |
| SCHEMBL5355388 | 0.66 | HPGDS (0.33) | — | |
| SCHEMBL14842994 | 0.65 | CYP2C19 (0.38) | — | |
| SCHEMBL3256600 | 0.64 | GRM2 (0.33) | — | |
| SCHEMBL29993720 | 0.59 | USP2 (0.43) | — | |
| SCHEMBL1521951 | 0.56 | HSD11B1 (0.30) | — | |
| SCHEMBL578419 | 0.56 | JAK2 (0.31) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1831158-A1 | NOVEL CYCLOHEXANE DERIVATIVES | F. Hoffmann-Roche AG (CH) | 2007-09-12 | — | — | EP | disclosed |
| US-7253282-B2 | Hexafluoroisopropanol substituted cyclohexane derivatives | HOFFMAN-LA ROCHE INC. (US) | 2007-08-07 | — | — | US | disclosed |
| WO-2006066779-A1 | NOVEL CYCLOHEXANE DERIVATIVES | F.HOFFMANN-LA ROCHE AG (CH) | 2006-06-29 | — | — | WO | disclosed |
| US-20060135601-A1 | Novel hexafluoroisopropanol substituted cyclohexane derivatives | HOFFMANN-LA ROCHE INC. | 2006-06-22 | — | — | US | disclosed |