⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7619862 | 0.93 | — | — | |
| SCHEMBL7611545 | 0.92 | — | — | |
| SCHEMBL3857093 | 0.90 | — | — | |
| SCHEMBL3850986 | 0.90 | ITGB1 (0.32) | — | |
| SCHEMBL3849610 | 0.88 | RORC (0.32) | — | |
| SCHEMBL3855418 | 0.88 | ITGB3 (0.32) | — | |
| SCHEMBL7616421 | 0.87 | ITGB1 (0.33) | — | |
| SCHEMBL4453834 | 0.85 | — | — | |
| SCHEMBL3852799 | 0.84 | ITGB1 (0.35) | — | |
| SCHEMBL3849731 | 0.82 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20030017993-A1 | Carbamyloxy compounds which inhibit leukocyte adhesion mediated by VLA-4 | WYETH | 2003-01-23 | — | — | US | disclosed |