⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14865916 | 0.67 | — | — | |
| SCHEMBL14867770 | 0.65 | — | — | |
| SCHEMBL14865929 | 0.61 | — | — | |
| SCHEMBL11691449 | 0.57 | — | — | |
| Methyl Alcohol SCHEMBL9004309 | 0.54 | — | — | |
| SCHEMBL29743100 | 0.54 | — | — | |
| SCHEMBL27596598 | 0.54 | — | — | |
| SCHEMBL6323 | 0.51 | — | — | |
| SCHEMBL1823097 | 0.51 | — | — | |
| SCHEMBL891350 | 0.51 | TSHR (0.50) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5412082-A | Conversion of amines to hydroxylamines | YALE UNIVERSITY (US) | 1995-05-02 | — | — | US | disclosed |
| EP-0485517-A1 | SYNTHESIS OF GLYCOSIDES HAVING PREDETERMINED STEREOCHEMISTRY | YALE UNIVERSITY (US) | 1992-05-20 | — | — | EP | disclosed |
| EP-0450823-A2 | The conversion of amines to hydroxylamines | YALE UNIVERSITY (US) | 1991-10-09 | — | — | EP | disclosed |
| WO-1991002739-A1 | SYNTHESIS OF GLYCOSIDES HAVING PREDETERMINED STEREOCHEMISTRY | YALE UNIVERSITY (US) | 1991-03-07 | — | — | WO | disclosed |