⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5275637 | 0.87 | — | — | |
| SCHEMBL3927512 | 0.84 | — | — | |
| SCHEMBL3817087 | 0.82 | — | — | |
| SCHEMBL5277577 | 0.77 | LMNA (0.30) | — | |
| SCHEMBL3820938 | 0.76 | — | — | |
| SCHEMBL5277696 | 0.76 | — | — | |
| SCHEMBL3816554 | 0.75 | — | — | |
| SCHEMBL5274462 | 0.73 | TSHR (0.38) | — | |
| SCHEMBL3819859 | 0.73 | TSHR (0.33) | — | |
| SCHEMBL5281079 | 0.70 | TSHR (0.33) | — |
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-1957073-A2 | MEDICINAL DRUG | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 2008-08-20 | — | — | EP | disclosed |
| WO-2007066784-A2 | DIARYLETHER DERIVATIVES AS ANTITUMOR AGENTS | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 2007-06-14 | — | — | WO | disclosed |
| EP-1773797-A2 | AROMATIC COMPOUNDS | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 2007-04-18 | — | — | EP | disclosed |
| WO-2006014012-A2 | AROMATIC COMPOUNDS | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 2006-02-09 | — | — | WO | disclosed |