⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13054185 | 0.89 | HSD11B1 (0.32) | — | |
| SCHEMBL7552777 | 0.89 | HSD11B1 (0.32) | — | |
| SCHEMBL7583302 | 0.86 | — | — | |
| SCHEMBL7589393 | 0.84 | — | — | |
| SCHEMBL7581190 | 0.83 | BACE1 (0.31) | — | |
| SCHEMBL13081547 | 0.80 | ELANE (0.33) | — | |
| SCHEMBL7601654 | 0.80 | ELANE (0.33) | — | |
| SCHEMBL7588792 | 0.79 | CCR6 (0.31) | — | |
| SCHEMBL7589338 | 0.77 | AR (0.32) | — | |
| SCHEMBL7588616 | 0.77 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-8183252-B2 | Heterocyclic aspartyl protease inhibitors | SCHERING CORPORATION (US) | 2012-05-22 | — | — | US | disclosed |