⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9340932 | 0.90 | — | — | |
| SCHEMBL12702246 | 0.89 | AGTR1 (0.46) | — | |
| SCHEMBL9341358 | 0.89 | — | — | |
| SCHEMBL9337427 | 0.88 | — | — | |
| SCHEMBL9337529 | 0.87 | — | — | |
| SCHEMBL9340956 | 0.87 | — | — | |
| SCHEMBL9337264 | 0.85 | AGTR1 (0.49) | — | |
| SCHEMBL9337363 | 0.85 | — | — | |
| SCHEMBL9339231 | 0.85 | — | — | |
| SCHEMBL9337763 | 0.84 | AGTR1 (0.51) | — |
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-5332750-A | Treatment of hypertension, aldosteronism, cardiac insufficienc y | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1994-07-26 | — | — | US | disclosed |