⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9696814 | 1.00 | — | — | |
| SCHEMBL9697116 | 0.88 | KMT2A (0.31) | — | |
| SCHEMBL9696722 | 0.84 | HMGCR (0.37) | — | |
| SCHEMBL9695389 | 0.84 | HMGCR (0.37) | — | |
| SCHEMBL9780982 | 0.84 | — | — | |
| SCHEMBL9655524 | 0.84 | HMGCR (0.33) | — | |
| SCHEMBL9780988 | 0.84 | — | — | |
| SCHEMBL9696802 | 0.83 | KCNK3 (0.31) | — | |
| SCHEMBL8952904 | 0.81 | FABP4 (0.32) | — | |
| SCHEMBL8953026 | 0.81 | HMGCR (0.31) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5124453-A | Treatment of corresponding aldehyde with lithium bis(tri-methylsilyl)amide | E. R. SQUIBB & SONS, INC. (US) | 1992-06-23 | — | — | US | disclosed |
| EP-0444532-A1 | Phosphorus-containing HMG-CoA reductase inhibitors, new intermediates and method | E.R. SQUIBB & SONS, INC. (US) | 1991-09-04 | — | — | EP | disclosed |
| US-5025000-A | Anticholesterol, antilipemic agents | E. R. SQUIBB & SONS, INC. (US) | 1991-06-18 | — | — | US | disclosed |