⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16040152 | 1.00 | — | — | |
| SCHEMBL2470956 | 0.72 | MAOA (0.77) | — | |
| SCHEMBL275526 | 0.72 | MAOA (0.77) | — | |
| SCHEMBL29785641 | 0.72 | MAOA (0.77) | — | |
| SCHEMBL718626 | 0.72 | ADRA2A (0.56) | — | |
| SCHEMBL31398566 | 0.71 | — | — | |
| SCHEMBL13649291 | 0.71 | — | — | |
| SCHEMBL2557888 | 0.70 | MAOA (0.74) | — | |
| SCHEMBL3194915 | 0.70 | — | — | |
| SCHEMBL337735 | 0.70 | — | — |
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-2022166796-A1 | PYRIMIDINE OR PYRIDINE AND HETEROCYCLIC ADENOSINE RECEPTOR INHIBITOR, PREPARATION METHOD THEREFOR AND USE THEREOF | 上海齐鲁制药研究中心有限公司 | 2022-08-11 | — | — | WO | disclosed |