⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6921137 | 0.78 | GPR183 (0.38) | — | |
| SCHEMBL6921375 | 0.78 | HPGD (0.34) | — | |
| SCHEMBL6918676 | 0.77 | ALDH1A1 (0.39) | — | |
| SCHEMBL6913812 | 0.75 | GPX4 (0.32) | — | |
| SCHEMBL6918700 | 0.74 | AKR1C3 (0.40) | — | |
| SCHEMBL6921386 | 0.73 | RAB9A (0.34) | — | |
| SCHEMBL6817245 | 0.73 | ALDH1A1 (0.39) | — | |
| SCHEMBL6218240 | 0.71 | RAB9A (0.45) | — | |
| SCHEMBL6919348 | 0.71 | SMN1; SMN2 (0.40) | — | |
| SCHEMBL6919428 | 0.70 | NPC1 (0.39) | — |
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 | claimed |