⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1221534 | 1.00 | — | — | |
| SCHEMBL6889796 | 0.94 | — | — | |
| Silver SCHEMBL2253632 | 0.94 | MEN1 (0.67) | — | |
| SCHEMBL9857544 | 0.94 | MEN1 (0.67) | — | |
| SCHEMBL9059685 | 0.94 | — | — | |
| SCHEMBL9645152 | 0.94 | — | — | |
| SCHEMBL11069799 | 0.94 | — | — | |
| SCHEMBL8581600 | 0.94 | — | — | |
| SCHEMBL11422313 | 0.94 | — | — | |
| SCHEMBL6889792 | 0.94 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5104845-A | Group 1 metalloaluminum borates | AMOCO CORPORATION (US) | 1992-04-14 | — | — | US | disclosed |
| US-4801571-A | SILICA-TIN OXIDE SUPPORT, CESIUM COMPOUND | AMOCO CORPORATION (US) | 1989-01-31 | — | — | US | disclosed |
| US-4535158-A | CHEMICXAL INTERMEDIATES FOR CARDIOTONIC AGENTS | DR. WILLMAR SCHWABE GMBH & CO. | 1985-08-13 | — | — | US | disclosed |
| US-4413122-A | Optionally N-substituted aminodesoxy-1.4;3.6-dianhydrohexitol derivatives | FA. WILMAR SCHWABE GMBH & CO. (DE) | 1983-11-01 | — | — | US | disclosed |
| US-4363805-A | TREATMENT OF CORONARY DISEASE | FIRMA WILLMAR SCHWABE (DE) | 1982-12-14 | — | — | US | disclosed |