⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5353761 | 1.00 | — | — | |
| SCHEMBL5358384 | 0.81 | SMN1; SMN2 (0.37) | — | |
| SCHEMBL5355388 | 0.76 | HPGDS (0.33) | — | |
| SCHEMBL5355384 | 0.71 | — | — | |
| SCHEMBL5355381 | 0.71 | SMN1; SMN2 (0.37) | — | |
| SCHEMBL7764384 | 0.61 | — | — | |
| SCHEMBL510469 | 0.61 | — | — | |
| SCHEMBL18763281 | 0.61 | — | — | |
| SCHEMBL18763279 | 0.61 | — | — | |
| SCHEMBL7899124 | 0.61 | — | — |
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-7253282-B2 | Hexafluoroisopropanol substituted cyclohexane derivatives | HOFFMAN-LA ROCHE INC. (US) | 2007-08-07 | — | — | US | disclosed |
| US-20060135601-A1 | Novel hexafluoroisopropanol substituted cyclohexane derivatives | HOFFMANN-LA ROCHE INC. | 2006-06-22 | — | — | US | disclosed |