⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5987097 | 0.72 | CYP2A6 (0.37) | — | |
| SCHEMBL23531836 | 0.67 | — | — | |
| SCHEMBL31563911 | 0.63 | — | — | |
| SCHEMBL31339481 | 0.63 | — | — | |
| SCHEMBL13932964 | 0.63 | — | — | |
| SCHEMBL10947172 | 0.62 | — | — | |
| SCHEMBL5908563 | 0.61 | GABRA1 (0.38) | — | |
| SCHEMBL11234560 | 0.60 | — | — | |
| SCHEMBL2210029 | 0.59 | HTR2A (0.31) | — | |
| SCHEMBL859018 | 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 |
|---|---|---|---|---|---|---|---|
| CN-115836054-B | IL4I1 inhibitors and methods of use | 默沙东有限责任公司 | 2024-12-10 | — | — | CN | disclosed |