⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5465961 | 0.75 | — | — | |
| SCHEMBL236146 | 0.72 | MGLL (0.47) | — | |
| SCHEMBL4900857 | 0.71 | — | — | |
| Hydrochloric Acid SCHEMBL28019904 | 0.69 | MGLL (0.44) | — | |
| SCHEMBL19878897 | 0.69 | — | — | |
| SCHEMBL10865874 | 0.68 | MGLL (0.31) | — | |
| SCHEMBL28860423 | 0.67 | — | — | |
| SCHEMBL170249 | 0.64 | TSHR (0.40) | — | |
| SCHEMBL6300105 | 0.64 | TSHR (0.43) | — | |
| SCHEMBL31348042 | 0.62 | ALDH1A1 (0.44) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-4505920-A | Certain N-substituted-4-aryl-3,5-pyridine dicarboxylates and their antihypertensive use | USV PHARMACEUTICAL CORPORATION (US) | 1985-03-19 | — | — | US | disclosed |
| US-4500528-A | HYPOTENSIVE AGENTS | USV PHARMACEUTICAL CORPORATION (US) | 1985-02-19 | — | — | US | disclosed |
| US-4491582-A | HYPOTENSIVE AGENTS | USV PHARMACEUTICAL CORPORATION (US) | 1985-01-01 | — | — | US | disclosed |
| US-4435395-A | HYPOTENSIVE AGENTS | USV PHARMACEUTICAL CORPORATION (US) | 1984-03-06 | — | — | US | disclosed |