⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8877222 | 0.93 | — | — | |
| SCHEMBL8877344 | 0.89 | KDM4E (0.42) | — | |
| SCHEMBL8877703 | 0.85 | KDM4E (0.44) | — | |
| SCHEMBL8877364 | 0.83 | HMGCR (0.43) | — | |
| SCHEMBL8877068 | 0.82 | KDM4E (0.41) | — | |
| SCHEMBL8877479 | 0.81 | — | — | |
| SCHEMBL8877671 | 0.81 | — | — | |
| SCHEMBL8953274 | 0.81 | HMGCR (0.38) | — | |
| SCHEMBL8953283 | 0.81 | HMGCR (0.38) | — | |
| SCHEMBL8877491 | 0.80 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5691322-A | Quinoline and pyridine anchors for HMG-CoA reductase inhibitors | E.R. SQUIBB & SONS, INC. (US) | 1997-11-25 | — | — | US | disclosed |