⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL812706 | 1.00 | — | — | |
| SCHEMBL27823457 | 1.00 | — | — | |
| SCHEMBL29767905 | 0.83 | CYP3A4 (0.46) | — | |
| SCHEMBL118486 | 0.81 | — | — | |
| SCHEMBL8954889 | 0.81 | — | — | |
| SCHEMBL3101248 | 0.81 | — | — | |
| SCHEMBL280605 | 0.81 | — | — | |
| SCHEMBL31352637 | 0.81 | ALDH1A1 (0.48) | — | |
| SCHEMBL18410487 | 0.81 | CYP3A4 (0.56) | — | |
| SCHEMBL14616914 | 0.81 | ALDH1A1 (0.48) | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20120322761-A1 | HETEROCYCLIC CETP INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY | 2012-12-20 | — | — | US | disclosed |
| EP-1954668-B9 | HOMO- AND HETEROCYCLIC COMPOUNDS SUITABLE AS CETP INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2012-03-21 | — | — | EP | disclosed |
| US-20110282075-A1 | METHOD FOR PREPARING VITTATALACTONE | ALBERT-LUDWIGS-UNIVERSITAT FREIBURG (DE) | 2011-11-17 | — | — | US | disclosed |
| US-20110282075-A1 | METHOD FOR PREPARING VITTATALACTONE | ALBERT-LUDWIGS-UNIVERSITAT FREIBURG (DE) | 2011-11-17 | — | — | US | disclosed |
| US-7790770-B2 | Heterocyclic CETP inhibitors | BRISTOL-MYERS SQUIBB COMPANY (US) | 2010-09-07 | — | — | US | disclosed |
| US-20070135631-A1 | HETEROCYCLIC CETP INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY | 2007-06-14 | — | — | US | disclosed |
| WO-2007062308-A2 | HOMO- AND HETEROCYCLIC COMPOUNDS SUITABLE AS CETP INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2007-05-31 | — | — | WO | disclosed |