⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15312407 | 0.70 | — | — | |
| SCHEMBL7384356 | 0.65 | — | — | |
| SCHEMBL6229922 | 0.58 | — | — | |
| SCHEMBL9422536 | 0.57 | — | — | |
| SCHEMBL7440212 | 0.54 | — | — | |
| Hydrochloric Acid SCHEMBL22206999 | 0.53 | — | — | |
| Hydrochloric Acid SCHEMBL4832902 | 0.52 | — | — | |
| Bromide SCHEMBL21804716 | 0.52 | — | — | |
| SCHEMBL14076039 | 0.50 | — | — | |
| SCHEMBL8442480 | 0.49 | ALDH1A1 (0.33) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0416740-A2 | Novel compounds with renin-inhibiting activity | Beecham Group p.l.c. (GB) | 1991-03-13 | — | — | EP | disclosed |