⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2011635 | 0.75 | — | — | |
| SCHEMBL2386256 | 0.68 | CHRNB2 (0.43) | — | |
| SCHEMBL11622947 | 0.65 | ALDH1A1 (0.32) | — | |
| SCHEMBL11147108 | 0.63 | — | — | |
| SCHEMBL5249187 | 0.63 | — | — | |
| SCHEMBL8617425 | 0.63 | — | — | |
| SCHEMBL208709 | 0.63 | — | — | |
| SCHEMBL3338855 | 0.59 | — | — | |
| SCHEMBL3576353 | 0.59 | ALDH1A1 (0.36) | — | |
| SCHEMBL2443449 | 0.58 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1961750-B1 | VLA-4 INHIBITORY DRUG | DAIICHI SANKYO CO LTD (JP) | 2013-09-18 | — | — | EP | disclosed |
| EP-1961750-A1 | VLA-4 INHIBITORY DRUG | Daiichi Sankyo Company, Limited (JP) | 2008-08-27 | — | — | EP | disclosed |