⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22958012 | 0.86 | PHGDH (0.46) | — | |
| SCHEMBL23425741 | 0.77 | — | — | |
| SCHEMBL20355962 | 0.77 | — | — | |
| SCHEMBL15689629 | 0.77 | — | — | |
| SCHEMBL20355957 | 0.77 | — | — | |
| SCHEMBL13419789 | 0.75 | ACHE (0.43) | — | |
| SCHEMBL25561300 | 0.74 | DPP8 (0.31) | — | |
| SCHEMBL736938 | 0.73 | — | — | |
| SCHEMBL736581 | 0.73 | — | — | |
| SCHEMBL2388285 | 0.73 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3604301-A1 | 4-PYRIDONE COMPOUND OR SALT THEREOF, AND PHARMACEUTICAL COMPOSITION AND FORMULATION INCLUDING SAME | FUJIFILM Corporation (JP) | 2020-02-05 | — | — | EP | disclosed |