⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL561501 | 1.00 | — | — | |
| SCHEMBL13062787 | 0.83 | — | — | |
| SCHEMBL428149 | 0.83 | — | — | |
| SCHEMBL5014477 | 0.83 | — | — | |
| SCHEMBL4283257 | 0.82 | LMNA (0.48) | — | |
| SCHEMBL5931064 | 0.82 | LMNA (0.48) | — | |
| Ammonia Solution, Strong SCHEMBL8048716 | 0.80 | — | — | |
| SCHEMBL45286 | 0.79 | LMNA (0.55) | — | |
| SCHEMBL4754377 | 0.79 | LMNA (0.55) | — | |
| SCHEMBL16089587 | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1954668-B9 | HOMO- AND HETEROCYCLIC COMPOUNDS SUITABLE AS CETP INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2012-03-21 | — | — | EP | disclosed |
| EP-1954668-B1 | HOMO- AND HETEROCYCLIC COMPOUNDS SUITABLE AS CETP INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2011-09-28 | — | — | EP | disclosed |