⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18401458 | 0.92 | — | — | |
| SCHEMBL18401320 | 0.87 | — | — | |
| SCHEMBL22182764 | 0.82 | — | — | |
| SCHEMBL24088714 | 0.81 | GRIK1 (0.32) | — | |
| SCHEMBL22925013 | 0.80 | — | — | |
| SCHEMBL19836693 | 0.80 | ALDH1A1 (0.33) | — | |
| SCHEMBL24599257 | 0.80 | — | — | |
| SCHEMBL18780120 | 0.80 | ALDH1A1 (0.32) | — | |
| SCHEMBL22924870 | 0.78 | PTGS1 (0.38) | — | |
| SCHEMBL19072657 | 0.78 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-11713319-B2 | Compounds having valerolactam structures | MERCK PATENT GMBH (DE) | 2023-08-01 | — | — | US | disclosed |