⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9426265 | 0.91 | — | — | |
| SCHEMBL9425335 | 0.85 | — | — | |
| SCHEMBL9425771 | 0.85 | — | — | |
| SCHEMBL9748652 | 0.82 | — | — | |
| SCHEMBL9349005 | 0.82 | — | — | |
| SCHEMBL9347276 | 0.80 | — | — | |
| SCHEMBL9347557 | 0.80 | — | — | |
| SCHEMBL9370723 | 0.79 | — | — | |
| SCHEMBL9879099 | 0.78 | — | — | |
| SCHEMBL9347917 | 0.78 | — | — |
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-5358946-A | Heterocycle-substituted amides, carbamates and ureas as agents for the treatment of atherosclerosis | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1994-10-25 | — | — | US | disclosed |