⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7584231 | 0.91 | ELANE (0.33) | — | |
| SCHEMBL7581190 | 0.90 | BACE1 (0.31) | — | |
| SCHEMBL7573802 | 0.89 | BACE1 (0.33) | — | |
| SCHEMBL13054070 | 0.89 | BACE1 (0.33) | — | |
| SCHEMBL7582435 | 0.87 | BACE1 (0.34) | — | |
| SCHEMBL7581043 | 0.86 | BACE1 (0.31) | — | |
| SCHEMBL7584854 | 0.85 | BACE1 (0.30) | — | |
| SCHEMBL7589796 | 0.84 | ALDH1A1 (0.32) | — | |
| SCHEMBL7584784 | 0.83 | RORC (0.33) | — | |
| SCHEMBL7584411 | 0.82 | KMT2A (0.32) | — |
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 |