⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25799170 | 1.00 | — | — | |
| SCHEMBL13770353 | 1.00 | — | — | |
| SCHEMBL19281716 | 0.80 | TAAR1 (0.35) | — | |
| SCHEMBL1272835 | 0.79 | SIGMAR1 (0.42) | — | |
| SCHEMBL10536303 | 0.78 | — | — | |
| SCHEMBL14384738 | 0.78 | — | — | |
| SCHEMBL24766786 | 0.77 | ALDH1A1 (0.32) | — | |
| SCHEMBL1742985 | 0.77 | — | — | |
| SCHEMBL19932787 | 0.75 | ANPEP (0.36) | — | |
| SCHEMBL12477917 | 0.75 | ANPEP (0.36) | — |
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-2023130054-A2 | HETEROARYL COMPOUNDS AS INHIBITORS OF IRAK4, COMPOSITIONS AND APPLICATIONS THEREOF | ACCRO BIOSCIENCE (HK) LIMITED (CN) | 2023-07-06 | — | — | WO | disclosed |