⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1425939 | 1.00 | — | — | |
| SCHEMBL14209235 | 0.89 | — | — | |
| SCHEMBL27991708 | 0.87 | — | — | |
| SCHEMBL14922899 | 0.82 | — | — | |
| SCHEMBL6083462 | 0.82 | — | — | |
| SCHEMBL21134653 | 0.82 | — | — | |
| SCHEMBL16686279 | 0.80 | — | — | |
| SCHEMBL11796470 | 0.79 | ADH1A (0.39) | — | |
| SCHEMBL11834254 | 0.77 | ADH1A (0.42) | — | |
| SCHEMBL21476640 | 0.76 | ALDH1A1 (0.33) | — |
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 |