⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21499767 | 0.83 | — | — | |
| SCHEMBL29520305 | 0.75 | — | — | |
| SCHEMBL17115243 | 0.73 | — | — | |
| SCHEMBL727837 | 0.72 | — | — | |
| SCHEMBL8227664 | 0.71 | — | — | |
| SCHEMBL15258698 | 0.71 | — | — | |
| SCHEMBL23652088 | 0.70 | — | — | |
| SCHEMBL22111386 | 0.69 | — | — | |
| SCHEMBL20158463 | 0.69 | — | — | |
| SCHEMBL13950863 | 0.68 | CYP2D6 (0.39) | — |
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-2903971-B1 | SUBSTITUTED N-(3-(PYRIMIDIN-4-YL)PHENYL)ACRYLAMIDE ANALOGS AS TYROSINE RECEPTOR KINASE BTK INHIBITORS | UNIV UTAH RES FOUND (US) | 2019-06-12 | — | — | EP | disclosed |