⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6286402 | 1.00 | — | — | |
| SCHEMBL12632024 | 0.84 | FKBP1A (0.33) | — | |
| SCHEMBL8062803 | 0.84 | FKBP1A (0.33) | — | |
| SCHEMBL32662977 | 0.83 | FKBP1A (0.31) | — | |
| SCHEMBL6694641 | 0.81 | ROCK2 (0.30) | — | |
| SCHEMBL6692057 | 0.81 | ROCK2 (0.30) | — | |
| SCHEMBL5516925 | 0.79 | NCF1 (0.33) | — | |
| SCHEMBL5516931 | 0.79 | NCF1 (0.33) | — | |
| SCHEMBL31116145 | 0.79 | FKBP1A (0.30) | — | |
| SCHEMBL6239274 | 0.77 | FKBP1A (0.30) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1546108-A1 | 1,4-SUBSTITUTED CYCLOHEXANE DERIVATIVES | UNIVERSITE DE MONTREAL (CA) | 2005-06-29 | — | — | EP | disclosed |
| US-20040138272-A1 | 1,4-Substituted cyclohexane derivatives | UNIVERSITE DE MONTREAL (CA) | 2004-07-15 | — | — | US | disclosed |
| WO-2004022541-A1 | 1,4-SUBSTITUTED CYCLOHEXANE DERIVATIVES | UNIVERSITE DE MONTREAL (CA) | 2004-03-18 | — | — | WO | disclosed |