⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7791604 | 1.00 | — | — | |
| SCHEMBL3195059 | 0.69 | — | — | |
| SCHEMBL6652054 | 0.66 | — | — | |
| SCHEMBL1545883 | 0.65 | — | — | |
| SCHEMBL22322677 | 0.65 | — | — | |
| SCHEMBL26732154 | 0.65 | — | — | |
| SCHEMBL9838354 | 0.65 | — | — | |
| SCHEMBL22339947 | 0.65 | — | — | |
| SCHEMBL4393797 | 0.65 | — | — | |
| SCHEMBL8402497 | 0.65 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1021433-B1 | METHOD FOR PRODUCING NATURAL DIOL-1,3 DERIVATIVES AND CORRESPONDING NATURAL 1,3-DIOXANE DERIVATIVES | PERNOD RICARD (FR) | 2001-11-14 | — | — | EP | disclosed |