⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL26042766 | 1.00 | — | — | |
| SCHEMBL24771878 | 0.81 | — | — | |
| SCHEMBL26042762 | 0.80 | — | — | |
| SCHEMBL29318832 | 0.80 | — | — | |
| SCHEMBL20083652 | 0.80 | — | — | |
| SCHEMBL24241017 | 0.78 | — | — | |
| SCHEMBL24187705 | 0.78 | — | — | |
| SCHEMBL27420080 | 0.78 | — | — | |
| SCHEMBL10146003 | 0.73 | — | — | |
| SCHEMBL30456043 | 0.72 | PRMT3 (0.40) | — |
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-2023116761-A1 | PYRIMIDINE HETEROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF IN MEDICINE | 英矽智能科技知识产权有限公司 | 2023-06-29 | — | — | WO | disclosed |