⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13012020 | 0.72 | AKT1 (0.37) | — | |
| SCHEMBL13012394 | 0.72 | AKT1 (0.37) | — | |
| SCHEMBL512796 | 0.72 | HRH3 (0.33) | — | |
| SCHEMBL9107485 | 0.69 | HRH2 (0.33) | — | |
| SCHEMBL1225635 | 0.67 | HRH2 (0.34) | — | |
| SCHEMBL513212 | 0.67 | KDM4E (0.34) | — | |
| SCHEMBL512167 | 0.64 | HRH2 (0.32) | — | |
| Propylene Oxide SCHEMBL6866878 | 0.62 | LMNA (0.35) | — | |
| SCHEMBL9103338 | 0.60 | KDM4E (0.32) | — | |
| SCHEMBL1226524 | 0.59 | KDM4E (0.37) | — |
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-2459197-A1 | COMPOUNDS FOR THE REDUCTION OF -AMYLOID PRODUCTION | Bristol-Myers Squibb Company (US) | 2012-06-06 | — | — | EP | claimed |