⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2005403 | 0.86 | PSEN1 (0.44) | — | |
| SCHEMBL15436751 | 0.86 | PSEN1 (0.44) | — | |
| SCHEMBL1901754 | 0.82 | PSEN1 (0.45) | — | |
| SCHEMBL23583173 | 0.73 | — | — | |
| SCHEMBL15731517 | 0.73 | — | — | |
| SCHEMBL20688099 | 0.73 | — | — | |
| SCHEMBL282957 | 0.72 | PSEN1 (0.52) | — | |
| SCHEMBL283284 | 0.72 | PSEN1 (0.52) | — | |
| SCHEMBL282958 | 0.72 | PSEN1 (0.52) | — | |
| SCHEMBL17808058 | 0.71 | — | — |
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-2017198221-A1 | PYRIMIDINE DERIVATIVE, METHOD FOR PREPARING SAME AND USE THEREOF IN MEDICINE | 浙江海正药业股份有限公司 | 2017-11-23 | — | — | WO | disclosed |