⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13508984 | 0.77 | — | — | |
| SCHEMBL13508930 | 0.72 | — | — | |
| SCHEMBL14828375 | 0.67 | — | — | |
| SCHEMBL11888134 | 0.67 | — | — | |
| SCHEMBL9506750 | 0.58 | — | — | |
| SCHEMBL23538958 | 0.56 | — | — | |
| SCHEMBL23539333 | 0.56 | — | — | |
| SCHEMBL13652409 | 0.54 | — | — | |
| SCHEMBL14526300 | 0.54 | — | — | |
| SCHEMBL9012846 | 0.53 | — | — |
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-2019189778-A1 | COMPOUND WITH ANTICANCER ACTIVITY | 協和発酵キリン株式会社 | 2019-10-03 | — | — | WO | disclosed |