⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8046915 | 1.00 | — | — | |
| SCHEMBL8046914 | 1.00 | — | — | |
| SCHEMBL7700667 | 0.83 | — | — | |
| SCHEMBL8046138 | 0.77 | — | — | |
| SCHEMBL8046137 | 0.77 | — | — | |
| SCHEMBL7362820 | 0.75 | — | — | |
| SCHEMBL7362823 | 0.75 | — | — | |
| SCHEMBL3111305 | 0.73 | PTGS1 (0.45) | — | |
| SCHEMBL3111303 | 0.73 | PTGS1 (0.45) | — | |
| SCHEMBL8046867 | 0.73 | — | — |
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-0355552-B1 | Alkoxymethyl- and alkenyloxymethyl-cyclohexanes | HOFFMANN LA ROCHE (CH) | 1994-02-23 | — | — | EP | disclosed |
| US-5102578-A | Electrooptics | HOFFMANN-LA ROCHE INC. (US) | 1992-04-07 | — | — | US | disclosed |
| EP-0355552-A2 | Alkoxymethyl- and alkenyloxymethyl-cyclohexanes | F. HOFFMANN-LA ROCHE AG (CH) | 1990-02-28 | — | — | EP | disclosed |