⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24480244 | 0.92 | — | — | |
| SCHEMBL24480864 | 0.92 | NCF1 (0.32) | — | |
| SCHEMBL24480587 | 0.86 | GBA1 (0.32) | — | |
| SCHEMBL25027122 | 0.82 | NCF1 (0.37) | — | |
| SCHEMBL25856575 | 0.82 | NCF1 (0.37) | — | |
| SCHEMBL23867411 | 0.82 | HTR6 (0.33) | — | |
| SCHEMBL25856190 | 0.82 | ACHE (0.42) | — | |
| SCHEMBL25026638 | 0.82 | — | — | |
| SCHEMBL25856384 | 0.82 | — | — | |
| SCHEMBL25856382 | 0.81 | TACR1 (0.31) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023131167-A1 | COMPOUND FOR INHIBITING AND DEGRADING IRAK4, AND PHARMACEUTICAL COMPOSITION AND PHARMACEUTICAL APPLICATION THEREOF | 海思科医药集团股份有限公司 | 2023-07-13 | — | — | WO | disclosed |