⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8906632 | 0.84 | — | — | |
| SCHEMBL8906865 | 0.84 | — | — | |
| SCHEMBL8837031 | 0.84 | DPP4 (0.35) | — | |
| SCHEMBL27465020 | 0.84 | — | — | |
| SCHEMBL8906662 | 0.83 | CTSC (0.33) | — | |
| SCHEMBL27394687 | 0.83 | CTSC (0.33) | — | |
| SCHEMBL27744679 | 0.77 | MAPK1 (0.32) | — | |
| SCHEMBL7269372 | 0.75 | — | — | |
| SCHEMBL7420310 | 0.74 | SCN4A (0.43) | — | |
| SCHEMBL8906278 | 0.70 | — | — |
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-5629406-A | AMINO ACID DERIVATIVES | SANKYO COMPANY, LIMITED (JP) | 1997-05-13 | — | — | US | disclosed |