⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7260805 | 0.75 | LMNA (0.34) | — | |
| SCHEMBL9254062 | 0.71 | — | — | |
| SCHEMBL27495376 | 0.71 | — | — | |
| SCHEMBL548609 | 0.71 | — | — | |
| SCHEMBL27332692 | 0.71 | — | — | |
| SCHEMBL16296076 | 0.71 | — | — | |
| SCHEMBL2906953 | 0.71 | — | — | |
| SCHEMBL10989922 | 0.71 | — | — | |
| SCHEMBL13075950 | 0.69 | SMN1; SMN2 (0.33) | — | |
| SCHEMBL27893063 | 0.67 | ALDH1A1 (0.33) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-105814049-B | Fused tricyclic imdazole derivatives as TNF active regulator | UCB生物制药私人有限公司 | 2019-03-12 | — | — | CN | disclosed |