⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL167344 | 0.70 | — | — | |
| SCHEMBL29111931 | 0.68 | GBA1 (0.31) | — | |
| SCHEMBL28172774 | 0.68 | ESR1 (0.31) | — | |
| SCHEMBL1853681 | 0.66 | — | — | |
| SCHEMBL7802027 | 0.66 | — | — | |
| SCHEMBL30785819 | 0.65 | — | — | |
| SCHEMBL8992263 | 0.62 | — | — | |
| SCHEMBL14019548 | 0.62 | — | — | |
| SCHEMBL14018927 | 0.62 | — | — | |
| SCHEMBL13208978 | 0.60 | — | — |
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-2011010682-A1 | STEROL DERIVATIVE | 協和発酵キリン株式会社 (JP) | 2011-01-27 | — | — | WO | disclosed |