⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL782872 | 0.83 | MAPK1 (0.31) | — | |
| SCHEMBL22743944 | 0.83 | MAPK1 (0.31) | — | |
| SCHEMBL28251386 | 0.77 | MAPK1 (0.30) | — | |
| SCHEMBL24451121 | 0.71 | BRD4 (0.37) | — | |
| SCHEMBL24629577 | 0.71 | ACE (0.30) | — | |
| SCHEMBL13036914 | 0.69 | BRD4 (0.35) | — | |
| SCHEMBL5997698 | 0.69 | — | — | |
| SCHEMBL21722626 | 0.69 | — | — | |
| SCHEMBL75546 | 0.69 | — | — | |
| SCHEMBL3183061 | 0.69 | — | — |
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-2022150707-A1 | FUSED QUADRACYCLIC COMPOUNDS, COMPOSITIONS AND USES THEREOF | Tabomedex Biosciences, Inc. (US) | 2022-07-14 | — | — | WO | disclosed |