⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7353472 | 0.78 | — | — | |
| SCHEMBL2648994 | 0.77 | — | — | |
| SCHEMBL4135805 | 0.77 | THRB (0.32) | — | |
| SCHEMBL936455 | 0.76 | — | — | |
| SCHEMBL3328517 | 0.76 | HTT (0.32) | — | |
| SCHEMBL6266389 | 0.75 | — | — | |
| SCHEMBL55040 | 0.75 | — | — | |
| SCHEMBL9430665 | 0.73 | HSP90AB1 (0.37) | — | |
| SCHEMBL9405105 | 0.73 | — | — | |
| SCHEMBL1706668 | 0.72 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0410379-B1 | Pharmaceutically active 3-aryl and 3-heteroaryl-2-fluoro-1-olefins | MERRELL DOW PHARMA (US) | 1996-01-31 | — | — | EP | disclosed |
| US-5068465-A | Hypotensive agents or enzyme inhibitors for treatment of hypertension | MERRELL DOW PHARMACEUTICALS INC. (US) | 1991-11-26 | — | — | US | disclosed |
| EP-0410379-A2 | Pharmaceutically active 3-aryl and 3-heteroaryl-2-fluoro-1-olefins | MERRELL DOW PHARMACEUTICALS INC. (US) | 1991-01-30 | — | — | EP | disclosed |
| US-4981868-A | ENZYME INHIBITORS, HYPOTENSIVES | MERRELL DOW PHARMACEUTICAL (US) | 1991-01-01 | — | — | US | disclosed |