⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9087802 | 0.82 | — | — | |
| SCHEMBL8999400 | 0.81 | — | — | |
| SCHEMBL8999434 | 0.81 | — | — | |
| SCHEMBL9307861 | 0.80 | — | — | |
| SCHEMBL9307997 | 0.80 | — | — | |
| SCHEMBL9089081 | 0.78 | — | — | |
| Water SCHEMBL9088948 | 0.78 | — | — | |
| SCHEMBL14409680 | 0.76 | — | — | |
| SCHEMBL5456425 | 0.76 | — | — | |
| SCHEMBL5417443 | 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 |
|---|---|---|---|---|---|---|---|
| US-5374638-A | Cardiovascular disorders, hypotensive agents | MERCK & CO., INC. (US) | 1994-12-20 | — | — | US | disclosed |