⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28451616 | 0.89 | — | — | |
| SCHEMBL28440871 | 0.84 | TAAR1 (0.47) | — | |
| SCHEMBL28441102 | 0.83 | — | — | |
| SCHEMBL28435366 | 0.81 | JAK2 (0.56) | — | |
| SCHEMBL28445177 | 0.81 | — | — | |
| SCHEMBL28443651 | 0.78 | JAK2 (0.56) | — | |
| SCHEMBL28442721 | 0.78 | FGFR4 (0.58) | — | |
| SCHEMBL28896922 | 0.77 | TAAR1 (0.44) | — | |
| SCHEMBL28445170 | 0.74 | TAAR1 (0.47) | — | |
| SCHEMBL12609978 | 0.74 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-111423384-B | 2-aminopyrimidine compounds and application thereof | 沈阳药科大学 | 2021-10-15 | — | — | CN | disclosed |
| CN-111423384-A | 2-aminopyrimidine compounds and application thereof | 沈阳药科大学 | 2020-07-17 | — | — | CN | disclosed |