⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6816992 | 0.84 | SLC6A4 (0.32) | — | |
| SCHEMBL6568439 | 0.73 | ITGB2 (0.37) | — | |
| SCHEMBL6817323 | 0.68 | HTT (0.31) | — | |
| SCHEMBL28340254 | 0.65 | — | — | |
| SCHEMBL6630349 | 0.61 | — | — | |
| SCHEMBL27529688 | 0.61 | SLC6A1 (0.31) | — | |
| SCHEMBL6312242 | 0.60 | FNTA (0.37) | — | |
| SCHEMBL6199467 | 0.59 | ITGAL (0.48) | — | |
| SCHEMBL1847750 | 0.59 | — | — | |
| SCHEMBL337230 | 0.59 | — | — |
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-1165505-B1 | CELL ADHESION-INHIBITING ANTIINFLAMMATORY AND IMMUNE-SUPPRESSIVE COMPOUNDS | ABBOTT LAB (US) | 2004-09-08 | — | — | EP | disclosed |