⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14336041 | 0.80 | — | — | |
| SCHEMBL1327338 | 0.77 | XDH (0.39) | — | |
| SCHEMBL23662083 | 0.76 | XDH (0.38) | — | |
| SCHEMBL2871981 | 0.76 | — | — | |
| SCHEMBL28176694 | 0.74 | — | — | |
| SCHEMBL3223555 | 0.74 | — | — | |
| SCHEMBL3434338 | 0.74 | — | — | |
| SCHEMBL1384063 | 0.74 | XDH (0.33) | — | |
| SCHEMBL7154457 | 0.72 | XDH (0.35) | — | |
| Hydrochloric Acid SCHEMBL1384062 | 0.72 | XDH (0.35) | — |
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 |