⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22161575 | 0.80 | — | — | |
| SCHEMBL27031339 | 0.78 | ALDH1A1 (0.39) | — | |
| SCHEMBL22843514 | 0.69 | YTHDC1 (0.38) | — | |
| SCHEMBL14983556 | 0.68 | ALDH1A1 (0.30) | — | |
| SCHEMBL23889376 | 0.68 | — | — | |
| SCHEMBL15065760 | 0.68 | CYP1A2 (0.35) | — | |
| SCHEMBL29556678 | 0.68 | CYP1A2 (0.35) | — | |
| SCHEMBL22162329 | 0.66 | CYP1A2 (0.34) | — | |
| SCHEMBL15338130 | 0.63 | — | — | |
| SCHEMBL22161808 | 0.62 | ALDH1A1 (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 |
|---|---|---|---|---|---|---|---|
| EP-3336090-B1 | IRAK4 INHIBITOR AND USE THEREOF | BEIJING HANMI PHARMACEUTICAL CO LTD (CN) | 2020-07-22 | — | — | EP | disclosed |