⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12187169 | 0.72 | — | — | |
| Water SCHEMBL8449744 | 0.72 | — | — | |
| SCHEMBL17236155 | 0.72 | — | — | |
| SCHEMBL9575101 | 0.69 | — | — | |
| SCHEMBL28060657 | 0.69 | ALDH1A1 (0.39) | — | |
| SCHEMBL21205807 | 0.69 | — | — | |
| SCHEMBL12187287 | 0.69 | — | — | |
| SCHEMBL19672456 | 0.69 | ALDH1A1 (0.31) | — | |
| SCHEMBL6246917 | 0.68 | — | — | |
| SCHEMBL685471 | 0.68 | — | — |
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-2008089439-A2 | METHODS AND COMPOSITIONS FOR ENHANCING LIFESPAN INVOLVING SIRTUIN-MODULATING COMPOUNDS AND CHALCOGENIDES | FRED HUTCHINSON CANCER RESEARCH CENTER (US) | 2008-07-24 | — | — | WO | disclosed |