⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19017653 | 0.93 | — | — | |
| SCHEMBL14444855 | 0.93 | — | — | |
| SCHEMBL444744 | 0.81 | — | — | |
| SCHEMBL9550257 | 0.80 | CYP1A2 (0.59) | — | |
| SCHEMBL23844550 | 0.78 | CYP1A2 (0.57) | — | |
| SCHEMBL8329095 | 0.78 | — | — | |
| SCHEMBL1371554 | 0.78 | CYP1A2 (0.57) | — | |
| SCHEMBL8328456 | 0.78 | — | — | |
| SCHEMBL2662411 | 0.78 | — | — | |
| SCHEMBL2385205 | 0.77 | CYP1A2 (0.62) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-10640502-B2 | Therapeutic targeting of interleukin-1 receptor-associated kinase 4 (IRAK4) in cancers characterized by rearrangements in the mixed lineage leukemia gene (MLL-r) | NORTHWESTERN UNIVERSITY (US) | 2020-05-05 | — | — | US | disclosed |
| US-20170305901-A1 | THERAPEUTIC TARGETING OF INTERLEUKIN-1 RECEPTOR-ASSOCIATED KINASE 4 (IRAK4) IN CANCERS CHARACTERIZED BY REARRANGEMENTS IN THE MIXED LINEAGE LEUKEMIA GENE (MLL-r) | NORTHWESTERN UNIVERSITY (US) | 2017-10-26 | — | — | US | disclosed |
| WO-2015032286-A1 | TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF | F.HOFFMANN-LA ROCHE AG (CH) | 2015-03-12 | — | — | WO | disclosed |
| EP-1632483-B1 | HETEROCYCLIC SUBSTITUTED CARBONYL DERIVATIVES AND THEIR USE AS DOPAMINE D3 RECEPTOR LIGANDS | AVENTIS PHARMA INC (US) | 2008-10-29 | — | — | EP | disclosed |