⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20554342 | 0.70 | — | — | |
| SCHEMBL9626420 | 0.70 | — | — | |
| SCHEMBL20553991 | 0.65 | ACHE (0.31) | — | |
| SCHEMBL6380487 | 0.64 | — | — | |
| SCHEMBL823295 | 0.58 | — | — | |
| Hydrochloric Acid SCHEMBL4989259 | 0.56 | — | — | |
| SCHEMBL9628185 | 0.55 | — | — | |
| SCHEMBL11325428 | 0.55 | — | — | |
| SCHEMBL8241353 | 0.53 | — | — | |
| SCHEMBL11238337 | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5118694-A | Hypotensive agents; treatment for cardiovascular and muscular disorders | HOFFMANN-LA ROCHE INC. (US) | 1992-06-02 | — | — | US | disclosed |
| US-4971982-A | HYPOTENSIVE AGENTS, CARDIOVASCULAR DISORDERS, SMOOTH MUSCLE DISORDERS | HOFFMANN-LA ROCHE INC. (US) | 1990-11-20 | — | — | US | disclosed |