⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9665014 | 0.73 | POLB (0.31) | — | |
| Hydrochloric Acid SCHEMBL9431771 | 0.71 | POLB (0.30) | — | |
| SCHEMBL25028203 | 0.65 | — | — | |
| SCHEMBL12948041 | 0.65 | — | — | |
| SCHEMBL576767 | 0.62 | — | — | |
| SCHEMBL20624837 | 0.62 | — | — | |
| SCHEMBL13772391 | 0.62 | — | — | |
| SCHEMBL20211419 | 0.62 | — | — | |
| SCHEMBL26059687 | 0.61 | PRKCA (0.36) | — | |
| SCHEMBL8915156 | 0.61 | POLB (0.33) | — |
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-0260092-B1 | OPTICALLY ACTIVE BETA-AMINO ACID DERIVATIVES AND THEIR SALTS, AND PROCESSES FOR PRODUCING THE SAME | Hatanaka,Minoru (JP) | 1992-07-29 | — | — | EP | claimed |