⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12886079 | 0.70 | — | — | |
| SCHEMBL14534611 | 0.67 | — | — | |
| SCHEMBL12868534 | 0.65 | — | — | |
| SCHEMBL707812 | 0.61 | — | — | |
| SCHEMBL12937701 | 0.60 | — | — | |
| SCHEMBL2044223 | 0.60 | — | — | |
| SCHEMBL7139212 | 0.60 | — | — | |
| SCHEMBL14413181 | 0.60 | — | — | |
| SCHEMBL4477639 | 0.60 | — | — | |
| SCHEMBL1490201 | 0.60 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2007062308-A2 | HOMO- AND HETEROCYCLIC COMPOUNDS SUITABLE AS CETP INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2007-05-31 | — | — | WO | disclosed |