⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8846213 | 0.71 | — | — | |
| SCHEMBL10470693 | 0.71 | — | — | |
| SCHEMBL3073439 | 0.71 | — | — | |
| SCHEMBL2156789 | 0.69 | — | — | |
| SCHEMBL2156793 | 0.69 | — | — | |
| SCHEMBL13778558 | 0.67 | — | — | |
| SCHEMBL30945105 | 0.67 | — | — | |
| SCHEMBL14702933 | 0.67 | — | — | |
| SCHEMBL12164138 | 0.65 | — | — | |
| SCHEMBL27790861 | 0.65 | — | — |
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 |