⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28974164 | 1.00 | — | — | |
| SCHEMBL28974170 | 1.00 | — | — | |
| SCHEMBL13560302 | 0.80 | ECE1 (0.37) | — | |
| SCHEMBL19198416 | 0.75 | LMNA (0.36) | — | |
| SCHEMBL605827 | 0.74 | — | — | |
| SCHEMBL12019810 | 0.72 | ALDH1A1 (0.50) | — | |
| SCHEMBL1492543 | 0.72 | ALDH1A1 (0.50) | — | |
| SCHEMBL191972 | 0.72 | SLC22A6 (0.39) | — | |
| SCHEMBL1902452 | 0.72 | SLC22A6 (0.39) | — | |
| SCHEMBL30782438 | 0.72 | SLC22A6 (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 |
|---|---|---|---|---|---|---|---|
| CN-115867348-A | Imidazopyrimidines as IL-17 modulators | 詹森药业有限公司 | 2023-03-28 | — | — | CN | disclosed |