⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28897622 | 0.83 | — | — | |
| SCHEMBL28456291 | 0.78 | — | — | |
| SCHEMBL28965326 | 0.76 | — | — | |
| SCHEMBL28663834 | 0.74 | CCNT1 (0.43) | — | |
| SCHEMBL4820325 | 0.73 | GAA (0.62) | — | |
| SCHEMBL28053989 | 0.73 | ALK (0.63) | — | |
| SCHEMBL28420032 | 0.72 | ALK (0.54) | — | |
| SCHEMBL28782059 | 0.72 | EGFR (0.50) | — | |
| SCHEMBL25173561 | 0.72 | DRD2 (0.50) | — | |
| SCHEMBL30160436 | 0.72 | DRD2 (0.50) | — |
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-105384694-B | Substituted aminopyrimidine derivative and preparation method and pharmaceutical application thereof | 四川海思科制药有限公司 | 2020-09-04 | — | — | CN | disclosed |