⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9971731 | 1.00 | — | — | |
| SCHEMBL9971720 | 1.00 | — | — | |
| SCHEMBL51412 | 0.78 | — | — | |
| SCHEMBL9971705 | 0.77 | — | — | |
| SCHEMBL9971719 | 0.72 | — | — | |
| SCHEMBL19901154 | 0.67 | — | — | |
| SCHEMBL51221 | 0.66 | — | — | |
| SCHEMBL12191204 | 0.66 | — | — | |
| SCHEMBL21450338 | 0.63 | FUCA1 (0.34) | — | |
| SCHEMBL10045669 | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8680300-B2 | Dioxanes derived from regrouping carbohydrates and C-glycosides, process for obtaining same and uses thereof | UNIVERSIDAD DE LA LAGUNA (ES) | 2014-03-25 | — | — | US | disclosed |
| US-20120157520-A1 | DIOXANES DERIVED FROM REGROUPING CARBOHYDRATES AND C-GLYCOSIDES, PROCESS FOR OBTAINING SAME AND USES THEREOF | UNIVERSIDAD DE LA LAGUNA (ES) | 2012-06-21 | — | — | US | disclosed |