⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9370723 | 0.78 | — | — | |
| SCHEMBL9879099 | 0.74 | — | — | |
| SCHEMBL9332676 | 0.72 | — | — | |
| SCHEMBL9425335 | 0.71 | — | — | |
| SCHEMBL6211252 | 0.71 | SOAT1 (0.56) | — | |
| SCHEMBL9347557 | 0.71 | — | — | |
| SCHEMBL9425749 | 0.70 | — | — | |
| SCHEMBL9160663 | 0.70 | — | — | |
| SCHEMBL9347917 | 0.70 | — | — | |
| SCHEMBL9157798 | 0.69 | PAK1 (0.43) | — |
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-5290801-A | Anticholesterol or antilipemic agents | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1994-03-01 | — | — | US | disclosed |