⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9616647 | 1.00 | — | — | |
| SCHEMBL9616649 | 0.83 | CYP2C9 (0.31) | — | |
| SCHEMBL9803101 | 0.80 | ITGB1 (0.34) | — | |
| SCHEMBL9616739 | 0.79 | HMGCR (0.33) | — | |
| SCHEMBL10467150 | 0.76 | HMGCR (0.39) | — | |
| SCHEMBL9749709 | 0.71 | PTGS2 (0.32) | — | |
| SCHEMBL9749704 | 0.71 | PTGS2 (0.32) | — | |
| SCHEMBL9803316 | 0.71 | PTGS2 (0.31) | — | |
| SCHEMBL9802801 | 0.69 | CYP2C9 (0.40) | — | |
| SCHEMBL10467884 | 0.69 | HMGCR (0.46) | — |
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-5001128-A | HMG-COA reductase inhibitors | RHONE-POULENC RORER PHARMACEUTICALS INC. (US) | 1991-03-19 | — | — | US | disclosed |