⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15125328 | 0.71 | — | — | |
| SCHEMBL27998031 | 0.64 | — | — | |
| SCHEMBL2339037 | 0.64 | — | — | |
| SCHEMBL13472074 | 0.64 | — | — | |
| SCHEMBL24966476 | 0.63 | — | — | |
| SCHEMBL30525274 | 0.60 | — | — | |
| SCHEMBL30525275 | 0.60 | — | — | |
| SCHEMBL24595699 | 0.60 | — | — | |
| SCHEMBL13304539 | 0.58 | — | — | |
| SCHEMBL2190661 | 0.57 | CDC25B (0.31) | — |
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-2021143823-A1 | PYRIDINE OR PYRIMIDINE DERIVATIVE, AND PREPARATION METHOD THEREFOR AND USE THEREOF | 浙江海正药业股份有限公司 | 2021-07-22 | — | — | WO | disclosed |