⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21900954 | 0.79 | NOTUM (0.32) | — | |
| SCHEMBL21856845 | 0.72 | MAPK9 (0.36) | — | |
| SCHEMBL23886856 | 0.68 | RAB9A (0.33) | — | |
| SCHEMBL21901135 | 0.63 | PIK3CA (0.31) | — | |
| SCHEMBL21900910 | 0.62 | — | — | |
| SCHEMBL23906193 | 0.62 | MAP4K4 (0.34) | — | |
| SCHEMBL21900864 | 0.61 | THRB (0.32) | — | |
| SCHEMBL23904459 | 0.60 | PDE4B (0.33) | — | |
| SCHEMBL15589516 | 0.58 | UHRF1 (0.54) | — | |
| SCHEMBL8341905 | 0.58 | UHRF1 (0.48) | — |
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-2020081257-A1 | MODULATORS OF ALPHA-1 ANTITRYPSIN | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2020-04-23 | — | — | WO | disclosed |