⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6951787 | 1.00 | — | — | |
| SCHEMBL6964047 | 1.00 | — | — | |
| SCHEMBL6961349 | 1.00 | — | — | |
| SCHEMBL6958094 | 0.92 | — | — | |
| SCHEMBL9057372 | 0.91 | ALDH1A1 (0.37) | — | |
| SCHEMBL6959211 | 0.89 | FDFT1 (0.36) | — | |
| SCHEMBL6963838 | 0.89 | FDFT1 (0.36) | — | |
| SCHEMBL7244925 | 0.88 | — | — | |
| SCHEMBL8666835 | 0.84 | FDFT1 (0.36) | — | |
| SCHEMBL9057211 | 0.76 | ALDH1A1 (0.37) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0567026-B1 | 4,1-Benzoxazepin derivatives as squalene synthase inhibitors and their use in the treatment of hypercholesteremia and as fungicides | TAKEDA CHEMICAL INDUSTRIES LTD (JP) | 2003-03-26 | — | — | EP | disclosed |
| US-5885979-A | SQUALENE SYNTHETASE INHIBITOR TREATING OR PREVENTING HYPERLIPIDEMIA | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1999-03-23 | — | — | US | disclosed |
| US-5726306-A | INHIBITORS OF SQUALENE SYNTHETASE AND FUNGAL GROWTH; USEFUL IN TREATING AND PREVENTING HYPERLIPIDEMIA | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1998-03-10 | — | — | US | disclosed |
| EP-0567026-A1 | 4,1-Benzoxazepin derivatives as squalene synthase inhibitors and their use in the treatment of hypercholesteremia and as fungicides | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1993-10-27 | — | — | EP | disclosed |