⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24176103 | 0.91 | ALDH1A1 (0.33) | — | |
| SCHEMBL24176107 | 0.87 | MGLL (0.33) | — | |
| SCHEMBL24176104 | 0.85 | ALDH1A1 (0.32) | — | |
| SCHEMBL26341319 | 0.77 | LRRK2 (0.31) | — | |
| SCHEMBL14079963 | 0.77 | ALDH1A1 (0.41) | — | |
| SCHEMBL14080010 | 0.75 | ALDH1A1 (0.40) | — | |
| SCHEMBL12774148 | 0.74 | ALDH1A1 (0.37) | — | |
| SCHEMBL24271360 | 0.74 | LRRK2 (0.30) | — | |
| SCHEMBL29503568 | 0.74 | LRRK2 (0.30) | — | |
| SCHEMBL1515242 | 0.73 | ALDH1A1 (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 |
|---|---|---|---|---|---|---|---|
| WO-2022002102-A1 | QUINAZOLINE COMPOUNDS, PREPARATION METHODS AND USES THEREOF | InventisBio Co., Ltd. (CN) | 2022-01-06 | — | — | WO | disclosed |