⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11300880 | 1.00 | — | — | |
| SCHEMBL11300874 | 1.00 | — | — | |
| SCHEMBL14242081 | 1.00 | — | — | |
| SCHEMBL9580167 | 0.80 | — | — | |
| SCHEMBL1116443 | 0.79 | — | — | |
| SCHEMBL3323342 | 0.79 | — | — | |
| SCHEMBL16986441 | 0.79 | — | — | |
| SCHEMBL3318077 | 0.79 | — | — | |
| SCHEMBL3320510 | 0.79 | — | — | |
| SCHEMBL16986438 | 0.79 | — | — |
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-1838304-B1 | HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS | SCHERING CORP (US) | 2009-08-19 | — | — | EP | disclosed |