⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9307861 | 0.83 | — | — | |
| SCHEMBL8999099 | 0.82 | — | — | |
| SCHEMBL9308108 | 0.80 | — | — | |
| SCHEMBL9242454 | 0.80 | — | — | |
| SCHEMBL14409680 | 0.79 | — | — | |
| SCHEMBL5456425 | 0.79 | — | — | |
| SCHEMBL5417443 | 0.79 | — | — | |
| SCHEMBL8998936 | 0.79 | — | — | |
| SCHEMBL13743046 | 0.78 | AGTR1 (0.66) | — | |
| SCHEMBL5421726 | 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-5374638-A | Cardiovascular disorders, hypotensive agents | MERCK & CO., INC. (US) | 1994-12-20 | — | — | US | disclosed |