⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15529598 | 0.78 | ALDH1A1 (0.41) | — | |
| SCHEMBL3437740 | 0.77 | ALDH1A1 (0.36) | — | |
| SCHEMBL1161080 | 0.76 | ALDH1A1 (0.39) | — | |
| SCHEMBL3437725 | 0.76 | — | — | |
| SCHEMBL10414839 | 0.76 | — | — | |
| SCHEMBL14459501 | 0.75 | ALDH1A1 (0.35) | — | |
| SCHEMBL6279500 | 0.74 | — | — | |
| SCHEMBL933723 | 0.74 | — | — | |
| SCHEMBL1469698 | 0.74 | — | — | |
| SCHEMBL6171423 | 0.74 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2005020987-A1 | HETEROCYCLIC AMIDE DERIVATIVES WHICH POSSES GLYCOGEN PHOSPHORYLASE INHIBITORY ACTIVITY | ASTRAZENECA AB (SE) | 2005-03-10 | — | — | WO | disclosed |