⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL546820 | 1.00 | — | — | |
| Water SCHEMBL7020737 | 0.95 | LMNA (0.35) | — | |
| SCHEMBL14363640 | 0.84 | LMNA (0.48) | — | |
| SCHEMBL28058377 | 0.82 | LMNA (0.52) | — | |
| SCHEMBL10710 | 0.80 | TDP1 (0.55) | — | |
| SCHEMBL27125291 | 0.80 | — | — | |
| SCHEMBL3229121 | 0.79 | USP2 (0.38) | — | |
| SCHEMBL27955401 | 0.79 | — | — | |
| SCHEMBL10343649 | 0.79 | THRB (0.35) | — | |
| SCHEMBL7888601 | 0.78 | THRB (0.50) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-8361973-B2 | Glycoside compounds and pharmaceutical compositions thereof | CENTROSE, LLC (US) | 2013-01-29 | — | — | US | disclosed |