⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11720828 | 0.74 | — | — | |
| SCHEMBL23544324 | 0.71 | — | — | |
| SCHEMBL295379 | 0.67 | — | — | |
| SCHEMBL23346770 | 0.61 | — | — | |
| SCHEMBL23346753 | 0.59 | KDM4E (0.34) | — | |
| SCHEMBL4777972 | 0.59 | ADRA2C (0.34) | — | |
| SCHEMBL23346756 | 0.59 | SLC6A2 (0.36) | — | |
| SCHEMBL23346755 | 0.59 | MAPT (0.34) | — | |
| SCHEMBL1541904 | 0.59 | — | — | |
| SCHEMBL7216267 | 0.59 | — | — |
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-3939962-A1 | METHOD FOR PREPARING AROMATIC AMINO ACID DERIVATIVE | CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) | 2022-01-19 | — | — | EP | disclosed |