⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24851905 | 0.70 | — | — | |
| SCHEMBL23997236 | 0.65 | PER2 (0.40) | — | |
| SCHEMBL24818589 | 0.63 | PER2 (0.38) | — | |
| SCHEMBL24492548 | 0.57 | — | — | |
| SCHEMBL18943749 | 0.56 | NOTUM (0.32) | — | |
| SCHEMBL669670 | 0.56 | — | — | |
| SCHEMBL9600797 | 0.54 | — | — | |
| SCHEMBL10955108 | 0.54 | — | — | |
| SCHEMBL12228048 | 0.53 | CRBN (0.35) | — | |
| SCHEMBL31325568 | 0.52 | — | — |
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-2023278222-A1 | IL4I1 INHIBITORS AND METHODS OF USE | MERCK SHARP & DOHME LLC (US) | 2023-01-05 | — | — | WO | disclosed |