⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8972707 | 1.00 | — | — | |
| SCHEMBL3221738 | 0.80 | — | — | |
| SCHEMBL19285244 | 0.79 | — | — | |
| SCHEMBL19285243 | 0.79 | — | — | |
| SCHEMBL19285521 | 0.79 | — | — | |
| SCHEMBL9388841 | 0.78 | — | — | |
| SCHEMBL9388830 | 0.78 | — | — | |
| SCHEMBL18869513 | 0.77 | SHBG (0.32) | — | |
| Ethylene Glycol SCHEMBL11688544 | 0.75 | — | — | |
| SCHEMBL8972613 | 0.74 | — | — |
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-0433836-B1 | Halophenyl substituted dioxanes | HOFFMANN LA ROCHE (CH) | 1996-03-27 | — | — | EP | disclosed |
| US-5322638-A | Halophenyl substituted dioxanes | HOFFMANN-LA ROCHE INC. (US) | 1994-06-21 | — | — | US | disclosed |
| EP-0433836-A2 | Halophenyl substituted dioxanes | F. HOFFMANN-LA ROCHE AG (CH) | 1991-06-26 | — | — | EP | disclosed |