⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8877833 | 0.92 | HMGCR (0.32) | — | |
| SCHEMBL8879106 | 0.91 | PPARG (0.33) | — | |
| SCHEMBL8878142 | 0.90 | HMGCR (0.35) | — | |
| SCHEMBL8877709 | 0.89 | PTGDR2 (0.32) | — | |
| SCHEMBL8877277 | 0.87 | HMGCR (0.33) | — | |
| SCHEMBL8901879 | 0.86 | HMGCR (0.36) | — | |
| SCHEMBL8878114 | 0.86 | GCGR (0.33) | — | |
| SCHEMBL8879048 | 0.86 | MEN1 (0.37) | — | |
| SCHEMBL8908743 | 0.85 | HMGCR (0.32) | — | |
| SCHEMBL8878963 | 0.85 | SQOR (0.38) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5691322-A | Quinoline and pyridine anchors for HMG-CoA reductase inhibitors | E.R. SQUIBB & SONS, INC. (US) | 1997-11-25 | — | — | US | disclosed |
| US-5686433-A | CHOLESTEROL BIOSYNTHESIS INHIBITION | E.R. SQUIBB & SONS, INC. (US) | 1997-11-11 | — | — | US | disclosed |