⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17308616 | 1.00 | — | — | |
| SCHEMBL13994587 | 0.81 | — | — | |
| SCHEMBL28538230 | 0.79 | OPRD1 (0.39) | — | |
| SCHEMBL1116394 | 0.77 | — | — | |
| SCHEMBL2617060 | 0.77 | — | — | |
| SCHEMBL16977088 | 0.77 | — | — | |
| SCHEMBL9660551 | 0.77 | — | — | |
| SCHEMBL16372558 | 0.77 | — | — | |
| SCHEMBL2560949 | 0.77 | HTT (0.34) | — | |
| SCHEMBL7882058 | 0.77 | ACE (0.38) | — |
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-100471838-C | VLA-4 inhibitors | DAIICHI SEIYAKU CO (JP) | 2009-03-25 | — | — | CN | disclosed |
| CN-100396680-C | Vla-4 inhibitors | DAICHI PHARMACEUTICAL CO LTD (JP) | 2008-06-25 | — | — | CN | disclosed |
| CN-1906160-A | Imidazole derivatives, processes for preparing them and their uses | UCB SA (BE) | 2007-01-31 | — | — | CN | disclosed |
| CN-1699363-A | Vla-4 inhibitors | DAICHI PHARMACEUTICAL CO LTD (JP) | 2005-11-23 | — | — | CN | disclosed |
| CN-1483024-A | Vla-4 inhibitors | ��һ��������ҩ��ʽ���� | 2004-03-17 | — | — | CN | disclosed |