⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL35737 | 0.91 | ALDH1A1 (0.31) | — | |
| SCHEMBL11926017 | 0.80 | SHBG (0.33) | — | |
| SCHEMBL11926005 | 0.79 | — | — | |
| SCHEMBL18380837 | 0.77 | — | — | |
| SCHEMBL18380830 | 0.77 | — | — | |
| SCHEMBL13183715 | 0.77 | SHBG (0.43) | — | |
| SCHEMBL11926000 | 0.76 | ALDH1A1 (0.36) | — | |
| SCHEMBL11926743 | 0.75 | SLC6A2 (0.34) | — | |
| SCHEMBL29172624 | 0.75 | TSHR (0.41) | — | |
| SCHEMBL2188626 | 0.73 | KDM4E (0.30) | — |
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-20120208819-A1 | HETEROCYCLIC COMPOUNDS USEFUL AS PDK1 INHIBITORS | OXFORD FINANCE LLC, AS COLLATERAL AGENT | 2012-08-16 | — | — | US | disclosed |