⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21325773 | 1.00 | — | — | |
| SCHEMBL21325848 | 1.00 | — | — | |
| SCHEMBL788046 | 0.77 | — | — | |
| SCHEMBL20690906 | 0.77 | AGL (0.34) | — | |
| SCHEMBL23203641 | 0.77 | AGL (0.42) | — | |
| SCHEMBL23203534 | 0.77 | AGL (0.42) | — | |
| SCHEMBL2275662 | 0.76 | — | — | |
| SCHEMBL26893956 | 0.76 | — | — | |
| SCHEMBL18410484 | 0.76 | — | — | |
| SCHEMBL16592007 | 0.75 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1181274-A4 | IMINOCYCLITOL INHIBITORS OF HEXOAMINIDASE AND GLYCOSIDASE | SCRIPPS RESEARCH INST (US) | 2005-08-17 | — | — | EP | disclosed |
| EP-1181274-A1 | IMINOCYCLITOL INHIBITORS OF HEXOAMINIDASE AND GLYCOSIDASE | The Scripps Research Institute (US) | 2002-02-27 | — | — | EP | disclosed |
| WO-2000068194-A1 | IMINOCYCLITOL INHIBITORS OF HEXOAMINIDASE AND GLYCOSIDASE | THE SCRIPPS RESEARCH INSTITUTE (US) | 2000-11-16 | — | — | WO | disclosed |