⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20211426 | 1.00 | — | — | |
| SCHEMBL9632190 | 1.00 | — | — | |
| SCHEMBL20228547 | 1.00 | — | — | |
| SCHEMBL20225125 | 0.88 | — | — | |
| SCHEMBL10586053 | 0.83 | — | — | |
| SCHEMBL12769538 | 0.79 | — | — | |
| SCHEMBL12049855 | 0.79 | — | — | |
| SCHEMBL12151506 | 0.79 | — | — | |
| SCHEMBL19891516 | 0.79 | — | — | |
| SCHEMBL19891559 | 0.79 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0485517-A1 | SYNTHESIS OF GLYCOSIDES HAVING PREDETERMINED STEREOCHEMISTRY | YALE UNIVERSITY (US) | 1992-05-20 | — | — | EP | disclosed |
| WO-1991002739-A1 | SYNTHESIS OF GLYCOSIDES HAVING PREDETERMINED STEREOCHEMISTRY | YALE UNIVERSITY (US) | 1991-03-07 | — | — | WO | disclosed |