⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24815935 | 0.82 | — | — | |
| SCHEMBL18756383 | 0.78 | — | — | |
| SCHEMBL5653428 | 0.78 | — | — | |
| SCHEMBL8806458 | 0.76 | EPHX1 (0.33) | — | |
| SCHEMBL30468500 | 0.70 | KMT2A (0.34) | — | |
| SCHEMBL30468462 | 0.67 | — | — | |
| SCHEMBL19718702 | 0.67 | — | — | |
| SCHEMBL29051891 | 0.66 | — | — | |
| SCHEMBL25515908 | 0.64 | — | — | |
| SCHEMBL4662808 | 0.64 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-112262145-B | 2-aminopyrimidine derivative and preparation method and application thereof | 上海奕拓医药科技有限责任公司 | 2023-08-01 | — | — | CN | disclosed |