⚠ 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 SCHEMBL6019871 | 1.00 | — | — | |
| Trifluoroacetic Acid SCHEMBL6450198 | 0.80 | HRH4 (0.30) | — | |
| SCHEMBL1484789 | 0.76 | KDM4E (0.34) | — | |
| SCHEMBL6018742 | 0.75 | ACACB (0.30) | — | |
| SCHEMBL6018741 | 0.71 | LIMK2 (0.31) | — | |
| Trifluoroacetic Acid SCHEMBL6451191 | 0.68 | ITGB3 (0.31) | — | |
| SCHEMBL6018943 | 0.68 | LSS (0.42) | — | |
| Trifluoroacetic Acid SCHEMBL7202943 | 0.67 | KDM4E (0.39) | — | |
| SCHEMBL5763811 | 0.67 | — | — | |
| SCHEMBL5763815 | 0.67 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1456171-B1 | SUBSTITUTED CYCLOHEXANE DERIVATIVES | HOFFMANN LA ROCHE (CH) | 2006-12-20 | — | — | EP | disclosed |
| US-20050272774-A1 | Substituted cyclohexane derivatives | ACKERMANN JEAN | 2005-12-08 | — | — | US | disclosed |
| US-6953806-B2 | Substituted cyclohexane derivatives | HOFFMANN-LA ROCHE INC. (US) | 2005-10-11 | — | — | US | disclosed |
| EP-1456171-A1 | SUBSTITUTED CYCLOHEXANE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2004-09-15 | — | — | EP | disclosed |
| US-20030199550-A1 | Substituted cyclohexane derivatives | F.HOFFMANN-LA ROCHE AG (CH) | 2003-10-23 | — | — | US | disclosed |
| WO-2003053919-A1 | SUBSTITUTED CYCLOHEXANE DERIVATIVES | F. HOFFMANN-LA-ROCHE AG (CH) | 2003-07-03 | — | — | WO | disclosed |