⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL645473 | 0.74 | — | — | |
| SCHEMBL3408266 | 0.70 | — | — | |
| SCHEMBL3031861 | 0.69 | — | — | |
| SCHEMBL6179358 | 0.62 | — | — | |
| SCHEMBL19583235 | 0.60 | — | — | |
| SCHEMBL10288982 | 0.59 | — | — | |
| SCHEMBL709722 | 0.59 | — | — | |
| SCHEMBL5555690 | 0.59 | — | — | |
| SCHEMBL3101565 | 0.59 | — | — | |
| SCHEMBL9925934 | 0.59 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2173695-A1 | METHOD FOR THE PREPARATION OF CIS-4-TERT-BUTYLCYCLOHEXANOL | Kanata Chemical Technologies Inc. (CA) | 2010-04-14 | — | — | EP | disclosed |
| WO-2009006734-A1 | METHOD FOR THE PREPARATION OF CIS-4-TERT-BUTYLCYCLOHEXANOL | KANATA CHEMICAL TECHNOLOGIES INC. (CA) | 2009-01-15 | — | — | WO | disclosed |