⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9775777 | 1.00 | — | — | |
| SCHEMBL9676787 | 0.81 | — | — | |
| SCHEMBL9775746 | 0.79 | — | — | |
| SCHEMBL723877 | 0.78 | CYP2D6 (0.41) | — | |
| SCHEMBL62851 | 0.78 | — | — | |
| SCHEMBL62852 | 0.78 | — | — | |
| SCHEMBL164980 | 0.78 | — | — | |
| SCHEMBL25388256 | 0.76 | — | — | |
| SCHEMBL3979627 | 0.76 | — | — | |
| SCHEMBL594190 | 0.76 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3035929-B1 | 7A-AMIDE SUBSTITUTED-6,6-DIFLUORO BICYCLIC HIMBACINE DERIVATIVES | MERCK SHARP & DOHME LLC (US) | 2024-07-03 | — | — | EP | disclosed |