⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19296769 | 0.79 | ABL1 (0.31) | — | |
| SCHEMBL24252515 | 0.68 | ALDH1A1 (0.37) | — | |
| SCHEMBL15052712 | 0.67 | S100A9 (0.39) | — | |
| SCHEMBL30744210 | 0.67 | HCAR2 (0.37) | — | |
| SCHEMBL15870055 | 0.67 | ENPP2 (0.35) | — | |
| SCHEMBL7295923 | 0.66 | HCAR2 (0.30) | — | |
| SCHEMBL14813131 | 0.65 | CA2 (0.34) | — | |
| SCHEMBL13678305 | 0.65 | JAK2 (0.31) | — | |
| SCHEMBL27961594 | 0.65 | APLNR (0.50) | — | |
| SCHEMBL7295928 | 0.64 | HCAR2 (0.33) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20190127336-A1 | SUBSTITUTED QUINAZOLINE COMPOUNDS AND METHODS OF USE | ARAXES PHARMA, LLC | 2019-05-02 | — | — | US | disclosed |