⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21126648 | 0.78 | CYP2C9 (0.40) | — | |
| SCHEMBL1887696 | 0.76 | — | — | |
| Hydrochloric Acid SCHEMBL21816717 | 0.74 | PRMT3 (0.50) | — | |
| SCHEMBL24477412 | 0.74 | — | — | |
| SCHEMBL12478500 | 0.74 | TRPV4 (0.33) | — | |
| SCHEMBL25553529 | 0.73 | CYP2C19 (0.60) | — | |
| SCHEMBL8909834 | 0.73 | MEN1 (0.35) | — | |
| SCHEMBL15467596 | 0.72 | CYP2C19 (0.38) | — | |
| SCHEMBL687260 | 0.71 | — | — | |
| SCHEMBL16837511 | 0.70 | ALOX15 (0.34) | — |
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-2023283610-A1 | COMPOUNDS FOR TARGETING DEGRADATION OF IRAK4 PROTEINS | BIOGEN MA INC. (US) | 2023-01-12 | — | — | WO | disclosed |