⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4742133 | 0.80 | — | — | |
| SCHEMBL284061 | 0.79 | GAA (0.57) | — | |
| SCHEMBL8544332 | 0.79 | GAA (0.57) | — | |
| SCHEMBL1927747 | 0.78 | — | — | |
| SCHEMBL891469 | 0.77 | — | — | |
| SCHEMBL20204106 | 0.76 | ALDH1A1 (0.50) | — | |
| SCHEMBL20216267 | 0.76 | GAA (0.48) | — | |
| SCHEMBL2581532 | 0.76 | ALDH1A1 (0.48) | — | |
| SCHEMBL11717075 | 0.76 | — | — | |
| SCHEMBL11004521 | 0.75 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-115515937-A | Dimers for the synthesis of peptidomimetics | 范因斯坦医学研究院 | 2022-12-23 | — | — | CN | disclosed |
| US-7008940-B1 | Dihydrobenzofuran derivatives, process for the preparing thereof and agents | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2006-03-07 | — | — | US | disclosed |
| EP-1213290-B1 | DIHYDROBENZOFURAN DERIVATIVES, PROCESS FOR THE PREPARATION THEREOF AND AGENTS | TAKEDA PHARMACEUTICAL (JP) | 2005-04-20 | — | — | EP | disclosed |
| EP-1213290-A1 | DIHYDROBENZOFURAN DERIVATIVES, PROCESS FOR THE PREPARATION THEREOF AND AGENTS | Takeda Chemical Industries, Ltd. (JP) | 2002-06-12 | — | — | EP | disclosed |
| US-5663164-A | CEPHALOSPORIN ANTIBIOTICS AS BACTERICIDES | ROUSSEL UCLAF (FR) | 1997-09-02 | — | — | US | disclosed |