⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4061316 | 0.86 | — | — | |
| SCHEMBL4066331 | 0.80 | PSEN1 (0.32) | — | |
| SCHEMBL4066336 | 0.80 | PSEN1 (0.32) | — | |
| SCHEMBL4067972 | 0.69 | HSD17B10 (0.33) | — | |
| SCHEMBL4067977 | 0.69 | HSD17B10 (0.33) | — | |
| SCHEMBL4062013 | 0.68 | HTR4 (0.37) | — | |
| SCHEMBL4062015 | 0.68 | HTR4 (0.37) | — | |
| SCHEMBL13532340 | 0.66 | MGAM (0.36) | — | |
| SCHEMBL4061527 | 0.65 | ALDH1A3 (0.45) | — | |
| SCHEMBL4061530 | 0.65 | ALDH1A3 (0.45) | — |
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-2041153-B1 | NEW 5-THIOXYLOPYRANOSE DERIVATIVES | FOURNIER LAB SA (FR) | 2009-10-21 | — | — | EP | disclosed |