⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17173152 | 1.00 | — | — | |
| SCHEMBL17173151 | 1.00 | — | — | |
| SCHEMBL21171609 | 0.97 | — | — | |
| SCHEMBL24378693 | 0.82 | — | — | |
| SCHEMBL19121546 | 0.81 | — | — | |
| SCHEMBL18881619 | 0.79 | ADH1B (0.32) | — | |
| SCHEMBL25481728 | 0.79 | ADH1B (0.32) | — | |
| SCHEMBL1487905 | 0.75 | — | — | |
| SCHEMBL17413513 | 0.75 | — | — | |
| SCHEMBL17413569 | 0.75 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3426637-B1 | COMPOUNDS AND METHODS FOR MODULATING BRUTON'S TYROSINE KINASE | ANGEL PHARMACEUTICAL CO LTD (CN) | 2022-02-09 | — | — | EP | disclosed |
| US-20210171508-A1 | MODULATORS OF THE INTEGRATED STRESS PATHWAY | ABBVIE INC. | 2021-06-10 | — | — | US | disclosed |
| US-10988482-B2 | IRAK4 inhibitor and use thereof | Beijing Hanmi Pharmaceutical Co., Ltd. (CN) | 2021-04-27 | — | — | US | disclosed |
| US-20200062775-A1 | IRAK4 INHIBITOR AND USE THEREOF | Beijing Hanmi Pharmaceutical Co., Ltd. (CN) | 2020-02-27 | — | — | US | disclosed |