⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL581007 | 0.74 | — | — | |
| SCHEMBL28586472 | 0.72 | — | — | |
| SCHEMBL2519826 | 0.69 | ALDH1A1 (0.37) | — | |
| SCHEMBL23413739 | 0.69 | — | — | |
| SCHEMBL3376148 | 0.65 | — | — | |
| SCHEMBL2355448 | 0.65 | TP53 (0.38) | — | |
| SCHEMBL2526179 | 0.64 | TSHR (0.34) | — | |
| SCHEMBL121148 | 0.63 | SMN1; SMN2 (0.42) | — | |
| SCHEMBL3376145 | 0.63 | — | — | |
| SCHEMBL530977 | 0.62 | — | — |
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-0828729-A1 | COLLECTION OF ACTIVATED GLYCOSIDE COMPOUNDS AND THEIR BIOLOGICAL USE | GLYCOMED INCORPORATED (US) | 1998-03-18 | — | — | EP | disclosed |