⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL946345 | 0.94 | NOS3 (0.33) | — | |
| SCHEMBL946975 | 0.78 | NOS3 (0.32) | — | |
| SCHEMBL10737317 | 0.76 | — | — | |
| SCHEMBL947604 | 0.75 | — | — | |
| SCHEMBL6268922 | 0.75 | — | — | |
| SCHEMBL1889848 | 0.70 | — | — | |
| SCHEMBL1547844 | 0.70 | SHBG (0.33) | — | |
| SCHEMBL946959 | 0.69 | — | — | |
| SCHEMBL1892264 | 0.69 | NOS3 (0.32) | — | |
| SCHEMBL4749332 | 0.69 | — | — |
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-5360794-A | Disubstituted and deoxy disubstituted derivatives of α-D-mannofuranosides and β-L-gulofuranosides having anti-inflammatory and anti-proliferative activity | MEDICARB INC. (US) | 1994-11-01 | — | — | US | disclosed |
| WO-1994003185-A1 | DISUBSTITUTED AND DEOXY DISUBSTITUTED DERIVATIVES OF α-D-MANNOFURANOSIDES AND β-L-GULOFURANOSIDES HAVING ANTI-INFLAMMATORY AND ANTI-PROLIFERATIVE ACTIVITY | MEDICARB INC. (US) | 1994-02-17 | — | — | WO | disclosed |