⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9308484 | 0.92 | — | — | |
| SCHEMBL9307837 | 0.91 | EDNRB (0.73) | — | |
| SCHEMBL9307168 | 0.89 | EDNRB (0.68) | — | |
| SCHEMBL9124539 | 0.87 | — | — | |
| SCHEMBL9128821 | 0.83 | EDNRB (0.65) | — | |
| SCHEMBL9308852 | 0.83 | EDNRB (0.75) | — | |
| SCHEMBL9087673 | 0.82 | EDNRB (0.74) | — | |
| SCHEMBL9307631 | 0.82 | EDNRB (0.59) | — | |
| SCHEMBL9127065 | 0.82 | EDNRB (0.81) | — | |
| SCHEMBL9127872 | 0.81 | EDNRB (0.84) | — |
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 |