⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6636006 | 0.90 | OXTR (0.32) | — | |
| SCHEMBL6633485 | 0.87 | — | — | |
| SCHEMBL6634282 | 0.87 | HSD11B1 (0.31) | — | |
| SCHEMBL6636818 | 0.87 | PGR (0.33) | — | |
| SCHEMBL6631828 | 0.86 | — | — | |
| SCHEMBL6633506 | 0.86 | — | — | |
| SCHEMBL6635177 | 0.85 | USP2 (0.32) | — | |
| SCHEMBL6635534 | 0.85 | ALDH1A1 (0.33) | — | |
| SCHEMBL6631926 | 0.84 | USP2 (0.33) | — | |
| SCHEMBL6637082 | 0.84 | DPP4 (0.30) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1000051-B1 | CARBAMYLOXY COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 | ELAN PHARM INC (US) | 2004-05-19 | — | — | EP | claimed |