⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL187477 | 0.77 | THRB (0.38) | — | |
| SCHEMBL11277204 | 0.70 | — | — | |
| SCHEMBL21239268 | 0.70 | THRB (0.40) | — | |
| SCHEMBL10314780 | 0.69 | — | — | |
| SCHEMBL10314775 | 0.69 | — | — | |
| SCHEMBL487643 | 0.69 | — | — | |
| SCHEMBL46524 | 0.68 | THRB (0.50) | — | |
| SCHEMBL3196665 | 0.68 | — | — | |
| SCHEMBL28822895 | 0.67 | THRB (0.38) | — | |
| SCHEMBL25174850 | 0.66 | — | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0738251-A4 | PALLADIUM CATALYZED ALKYLATIVE CYCLIZATION USEFUL IN SYNTHESES OF VITAMIN D AND ANALOGUES | UNIV LELAND STANFORD JUNIOR (US) | 1997-05-14 | — | — | EP | disclosed |
| EP-0738251-A1 | PALLADIUM CATALYZED ALKYLATIVE CYCLIZATION USEFUL IN SYNTHESES OF VITAMIN D AND ANALOGUES | THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) | 1996-10-23 | — | — | EP | disclosed |
| US-5446225-A | Reacting halide or pseudohalide with 1,6 or 1,7 enyne in presence of palladium catalyst | BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIV. (US) | 1995-08-29 | — | — | US | disclosed |
| EP-0630361-A4 | PALLADIUM CATALYZED ALKYLATIVE CYCLIZATION USEFUL IN SYNTHESIS OF VITAMIN D AND ANALOGUES. | UNIV LELAND STANFORD JUNIOR (US) | 1995-08-23 | — | — | EP | disclosed |
| WO-1995017363-A1 | PALLADIUM CATALYZED ALKYLATIVE CYCLIZATION USEFUL IN SYNTHESES OF VITAMIN D AND ANALOGUES | THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) | 1995-06-29 | — | — | WO | disclosed |
| EP-0630361-A1 | PALLADIUM CATALYZED ALKYLATIVE CYCLIZATION USEFUL IN SYNTHESIS OF VITAMIN D AND ANALOGUES | THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) | 1994-12-28 | — | — | EP | disclosed |
| US-5292977-A | Palladium catalyzed alkylative cyclization useful in synthesis of vitamin D and analogues | BOARD OF TRUSTEES OF LELAND STANFORD JUNIOR UNIVERSITY (US) | 1994-03-08 | — | — | US | disclosed |
| WO-1993016022-A1 | PALLADIUM CATALYZED ALKYLATIVE CYCLIZATION USEFUL IN SYNTHESIS OF VITAMIN D AND ANALOGUES | THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) | 1993-08-19 | — | — | WO | disclosed |