⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11061200 | 0.76 | — | — | |
| SCHEMBL11027770 | 0.76 | — | — | |
| SCHEMBL11061201 | 0.76 | — | — | |
| SCHEMBL1204457 | 0.70 | — | — | |
| SCHEMBL1204458 | 0.70 | — | — | |
| SCHEMBL10831464 | 0.69 | — | — | |
| SCHEMBL9053847 | 0.69 | — | — | |
| SCHEMBL11203186 | 0.67 | — | — | |
| SCHEMBL11203188 | 0.67 | — | — | |
| SCHEMBL8400267 | 0.66 | TRPA1 (0.41) | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4454291-A | HYPOTENSIVE AGENTS | AMERICAN HOME PRODUCTS CORPORATION (US) | 1984-06-12 | — | — | US | disclosed |
| US-4454291-A | HYPOTENSIVE AGENTS | AMERICAN HOME PRODUCTS CORPORATION (US) | 1984-06-12 | — | — | US | disclosed |
| US-4454292-A | CHEMICAL INTERMEDIATES OF ANGIOTENSIN CONVERTING ENZYNE INHIBITORS | AMERICAN HOME PRODUCTS CORPORATION (US) | 1984-06-12 | — | — | US | disclosed |
| US-4454292-A | CHEMICAL INTERMEDIATES OF ANGIOTENSIN CONVERTING ENZYNE INHIBITORS | AMERICAN HOME PRODUCTS CORPORATION (US) | 1984-06-12 | — | — | US | disclosed |
| US-4350633-A | ENZYME INHIBITORS, HYPOTENSIVE AGENTS | AMERICAN HOME PRODUCTS CORPORATION (US) | 1982-09-21 | — | — | US | disclosed |
| US-4350633-A | ENZYME INHIBITORS, HYPOTENSIVE AGENTS | AMERICAN HOME PRODUCTS CORPORATION (US) | 1982-09-21 | — | — | US | disclosed |