⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9258470 | 0.91 | — | — | |
| SCHEMBL7310843 | 0.86 | SLC33A1 (0.41) | — | |
| SCHEMBL9308164 | 0.86 | — | — | |
| Hydrochloric Acid SCHEMBL7322654 | 0.85 | — | — | |
| SCHEMBL9256922 | 0.85 | SLC33A1 (0.43) | — | |
| SCHEMBL7318558 | 0.85 | AGTR1 (0.41) | — | |
| SCHEMBL7315139 | 0.84 | — | — | |
| SCHEMBL9309447 | 0.82 | — | — | |
| SCHEMBL9725027 | 0.81 | AGTR1 (0.42) | — | |
| SCHEMBL9258137 | 0.80 | PPARG (0.45) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5387747-A | Used in the treatment and prevention of cardiovascular diseases: hypertension, cardiac insufficiency and atherosclerosis | LABORATOIRES UPSA (FR) | 1995-02-07 | — | — | US | disclosed |
| US-5231094-A | Cardiovascular disorders | SOCIETE ANONYME: LABORATOIRES UPSA (FR) | 1993-07-27 | — | — | US | disclosed |