⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3849313 | 0.92 | MCOLN3 (0.30) | — | |
| SCHEMBL5165624 | 0.86 | KCNH2 (0.32) | — | |
| SCHEMBL4449490 | 0.81 | — | — | |
| SCHEMBL7200109 | 0.81 | — | — | |
| SCHEMBL3855348 | 0.81 | MMP2 (0.33) | — | |
| SCHEMBL6712014 | 0.80 | PSEN1 (0.31) | — | |
| SCHEMBL3856857 | 0.79 | KCNH2 (0.32) | — | |
| SCHEMBL3849701 | 0.78 | SPPL2A (0.31) | — | |
| SCHEMBL3852198 | 0.78 | — | — | |
| SCHEMBL3852014 | 0.77 | ADAMTS5 (0.34) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-7320960-B2 | Carbamyloxy compounds which inhibit leukocyte adhesion mediated by VLA-4 | ELAN PHARMACEUTICALS, INC. (US) | 2008-01-22 | — | — | US | claimed |
| US-20040014677-A1 | Carbamyloxy compounds which inhibit leukocyte adhesion mediated by VLA-4 | BIOGEN IDEC INTERNATIONAL HOLDING LTD. (BM) | 2004-01-22 | — | — | US | claimed |