⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4667900 | 0.75 | — | — | |
| SCHEMBL4279222 | 0.70 | — | — | |
| SCHEMBL10408594 | 0.69 | — | — | |
| SCHEMBL4457117 | 0.64 | — | — | |
| SCHEMBL8776682 | 0.64 | — | — | |
| SCHEMBL9784592 | 0.63 | — | — | |
| SCHEMBL9504376 | 0.63 | — | — | |
| SCHEMBL29227896 | 0.61 | — | — | |
| SCHEMBL29079965 | 0.61 | — | — | |
| SCHEMBL9520811 | 0.61 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| JP-8253469-A | — | — | None | — | — | JP | disclosed |
| US-5667721-A | Liquid crystalline di-1,3-dioxane derivatives | ROLIC AG (CH) | 1997-09-16 | — | — | US | disclosed |
| JP-H08253469-A | DI-1,3-DIOXANE DERIVATIVE AS LIQUID CRYSTAL | F HOFFMANN LA ROCHE AG | 1996-10-01 | — | — | JP | disclosed |