⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2497821 | 0.80 | — | — | |
| SCHEMBL376992 | 0.80 | — | — | |
| SCHEMBL21409026 | 0.77 | — | — | |
| SCHEMBL2224543 | 0.77 | — | — | |
| SCHEMBL9637164 | 0.76 | — | — | |
| SCHEMBL2487140 | 0.76 | — | — | |
| SCHEMBL1647597 | 0.76 | — | — | |
| SCHEMBL5123125 | 0.76 | — | — | |
| SCHEMBL29035006 | 0.75 | — | — | |
| SCHEMBL7298166 | 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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1346982-B1 | VLA-4 INHIBITORS | DAIICHI SEIYAKU CO (JP) | 2011-09-14 | — | — | EP | disclosed |
| US-7157487-B2 | Vla-4 inhibitors | DAIICHI PHARMACEUTICAL CO., LTD. (JP) | 2007-01-02 | — | — | US | disclosed |
| US-20040110945-A1 | Vla-4 inhibitors | DAIICHI PHARMACEUTICAL CO., LTD. (JP) | 2004-06-10 | — | — | US | disclosed |
| EP-1346982-A1 | VLA-4 INHIBITORS | DAIICHI PHARMACEUTICAL CO., LTD. (JP) | 2003-09-24 | — | — | EP | disclosed |