⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8048281 | 0.64 | — | — | |
| SCHEMBL20441413 | 0.64 | PIK3CD (0.32) | — | |
| SCHEMBL19545921 | 0.61 | — | — | |
| SCHEMBL8037962 | 0.60 | — | — | |
| SCHEMBL27175497 | 0.60 | — | — | |
| SCHEMBL20993404 | 0.60 | — | — | |
| SCHEMBL22851425 | 0.59 | SLC22A2 (0.32) | — | |
| SCHEMBL8049207 | 0.59 | — | — | |
| SCHEMBL21086702 | 0.59 | — | — | |
| SCHEMBL15424539 | 0.59 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-11591325-B2 | 2-polysubstituted aromatic ring-pyrimidine derivatives, preparation and medical application thereof | ZHEJIANG UNIVERSITY (CN) | 2023-02-28 | — | — | US | disclosed |