⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10841840 | 0.75 | — | — | |
| SCHEMBL24176430 | 0.73 | — | — | |
| SCHEMBL26058813 | 0.71 | — | — | |
| SCHEMBL10862803 | 0.71 | OPRM1 (0.33) | — | |
| SCHEMBL18542789 | 0.70 | CYP1A2 (0.32) | — | |
| SCHEMBL24176194 | 0.69 | SLC6A9 (0.30) | — | |
| SCHEMBL24176112 | 0.69 | — | — | |
| Dimethylamine SCHEMBL10840919 | 0.69 | — | — | |
| SCHEMBL10856987 | 0.68 | OPRM1 (0.34) | — | |
| SCHEMBL30277277 | 0.68 | CCR5 (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 |
|---|---|---|---|---|---|---|---|
| WO-2022002102-A1 | QUINAZOLINE COMPOUNDS, PREPARATION METHODS AND USES THEREOF | InventisBio Co., Ltd. (CN) | 2022-01-06 | — | — | WO | disclosed |