⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13885348 | 0.69 | — | — | |
| SCHEMBL18799868 | 0.45 | — | — | |
| SCHEMBL13891681 | 0.45 | — | — | |
| SCHEMBL2998374 | 0.43 | — | — | |
| SCHEMBL7014344 | 0.39 | — | — | |
| SCHEMBL1468768 | 0.39 | — | — | |
| SCHEMBL314563 | 0.36 | — | — | |
| SCHEMBL19837258 | 0.36 | — | — | |
| SCHEMBL18205013 | 0.35 | — | — | |
| SCHEMBL11124636 | 0.35 | — | — |
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-1600457-B1 | PEPTIDE DERIVATIVES HAVING BETA-SECRETASE INHIBITORY ACTIVITY | KISO YOSHIAKI (JP) | 2013-02-20 | — | — | EP | disclosed |