⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12722103 | 1.00 | — | — | |
| SCHEMBL18380830 | 0.77 | — | — | |
| SCHEMBL18380837 | 0.77 | — | — | |
| SCHEMBL14407171 | 0.77 | — | — | |
| SCHEMBL12722105 | 0.77 | — | — | |
| SCHEMBL28775691 | 0.74 | — | — | |
| SCHEMBL8185639 | 0.73 | — | — | |
| SCHEMBL13002271 | 0.73 | SHBG (0.37) | — | |
| SCHEMBL2188080 | 0.73 | ALDH1A1 (0.33) | — | |
| SCHEMBL24606560 | 0.72 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9546165-B2 | Heterocyclic compounds useful as PDK1 inhibitors | SUNESIS PHARMACEUTICALS, INC. (US) | 2017-01-17 | — | — | US | disclosed |
| US-20160331756-A1 | HETEROCYCLIC COMPOUNDS USEFUL AS PDK1 INHIBITORS | OXFORD FINANCE LLC, AS COLLATERAL AGENT | 2016-11-17 | — | — | US | disclosed |