⚠ 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 | |
|---|---|---|---|---|
| Imidazole SCHEMBL7479273 | 0.90 | — | — | |
| Imidazole SCHEMBL27971501 | 0.90 | ALDH1A1 (0.87) | — | |
| Imidazole SCHEMBL19028065 | 0.90 | ALDH1A1 (1.00) | — | |
| Imidazole SCHEMBL1331920 | 0.90 | — | — | |
| Imidazole SCHEMBL28744226 | 0.90 | ALDH1A1 (1.00) | — | |
| Imidazole SCHEMBL2684565 | 0.90 | ALDH1A1 (1.00) | — | |
| Imidazole SCHEMBL897 | 0.90 | — | — | |
| Imidazole SCHEMBL2635292 | 0.90 | — | — | |
| Imidazole SCHEMBL1331382 | 0.90 | — | — | |
| Imidazole SCHEMBL30382963 | 0.90 | — | — |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4267337-A | Imidazolemethylphosphonium salts | SK&F LAB CO. (US) | 1981-05-12 | — | — | US | disclosed |
| US-4163858-A | Process for preparing new imidazolemethylphosphonium salts | SK&F LAB CO. (US) | 1979-08-07 | — | — | US | disclosed |
| US-4163858-A | Process for preparing new imidazolemethylphosphonium salts | SK&F LAB CO. (US) | 1979-08-07 | — | — | US | disclosed |
| US-4163858-A | Process for preparing new imidazolemethylphosphonium salts | SK&F LAB CO. (US) | 1979-08-07 | — | — | US | disclosed |
| US-4139708-A | Intermediates and processes useful for preparing medicinal agents imidazolemethylphosphonium salts | SK&F LAB CO. (US) | 1979-02-13 | — | — | US | disclosed |
| US-4139708-A | Intermediates and processes useful for preparing medicinal agents imidazolemethylphosphonium salts | SK&F LAB CO. (US) | 1979-02-13 | — | — | US | disclosed |
| US-4139708-A | Intermediates and processes useful for preparing medicinal agents imidazolemethylphosphonium salts | SK&F LAB CO. (US) | 1979-02-13 | — | — | US | disclosed |
| US-4104472-A | Imidazolemethylphosphonium salts | SMITHKLINE CORPORATION (US) | 1978-08-01 | — | — | US | disclosed |
| US-4104472-A | Imidazolemethylphosphonium salts | SMITHKLINE CORPORATION (US) | 1978-08-01 | — | — | US | disclosed |
| US-4104472-A | Imidazolemethylphosphonium salts | SMITHKLINE CORPORATION (US) | 1978-08-01 | — | — | US | disclosed |