⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9780982 | 1.00 | — | — | |
| SCHEMBL9781044 | 0.87 | HMGCR (0.30) | — | |
| SCHEMBL9655524 | 0.86 | HMGCR (0.33) | — | |
| SCHEMBL9696492 | 0.85 | HMGCR (0.39) | — | |
| SCHEMBL9696496 | 0.85 | HMGCR (0.39) | — | |
| SCHEMBL9696814 | 0.84 | — | — | |
| SCHEMBL9696808 | 0.84 | — | — | |
| SCHEMBL8953026 | 0.83 | HMGCR (0.31) | — | |
| SCHEMBL8952904 | 0.83 | FABP4 (0.32) | — | |
| SCHEMBL8952912 | 0.83 | FABP4 (0.32) | — |
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-5025000-A | Anticholesterol, antilipemic agents | E. R. SQUIBB & SONS, INC. (US) | 1991-06-18 | — | — | US | disclosed |