⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL315515 | 1.00 | — | — | |
| SCHEMBL2409468 | 0.86 | GSK3B (0.35) | — | |
| SCHEMBL2409473 | 0.86 | GSK3B (0.35) | — | |
| SCHEMBL315093 | 0.85 | CHRNB1 (0.39) | — | |
| SCHEMBL315094 | 0.85 | CHRNB1 (0.39) | — | |
| SCHEMBL2141252 | 0.84 | XDH (0.38) | — | |
| SCHEMBL2141249 | 0.84 | XDH (0.38) | — | |
| SCHEMBL3400268 | 0.84 | PIK3CG (0.32) | — | |
| SCHEMBL315640 | 0.84 | PIK3CG (0.32) | — | |
| SCHEMBL316064 | 0.84 | CHRNB1 (0.34) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2066683-B1 | DERIVATIVES OF 5-THIOXYLOPYRANOSE AND USE OF SAME FOR TREATMENT | FOURNIER LAB SA (FR) | 2010-11-03 | — | — | EP | disclosed |