⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22270958 | 0.74 | — | — | |
| SCHEMBL13454734 | 0.74 | CCR1 (0.37) | — | |
| SCHEMBL7537272 | 0.74 | PRKCI (0.35) | — | |
| SCHEMBL30413182 | 0.74 | CCR1 (0.37) | — | |
| SCHEMBL30412969 | 0.69 | LRRK2 (0.34) | — | |
| SCHEMBL23937934 | 0.69 | ALDH1A1 (0.36) | — | |
| SCHEMBL24835667 | 0.69 | MTNR1A (0.32) | — | |
| SCHEMBL13400649 | 0.69 | — | — | |
| SCHEMBL12395099 | 0.69 | TAAR1 (0.30) | — | |
| SCHEMBL29446635 | 0.67 | IRAK4 (0.30) | — |
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-3399968-B1 | SELECTIVE INHIBITORS OF CLINICALLY IMPORTANT MUTANTS OF THE EGFR TYROSINE KINASE | CS PHARMATECH LTD (KY) | 2021-10-20 | — | — | EP | disclosed |