⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28456291 | 0.91 | — | — | |
| SCHEMBL28445773 | 0.83 | — | — | |
| SCHEMBL28364826 | 0.82 | EGFR (0.74) | — | |
| SCHEMBL12609548 | 0.81 | — | — | |
| SCHEMBL12609551 | 0.81 | — | — | |
| Hydrochloric Acid SCHEMBL12609804 | 0.80 | — | — | |
| Hydrochloric Acid SCHEMBL12609806 | 0.80 | — | — | |
| SCHEMBL2060725 | 0.74 | ALK (0.82) | — | |
| SCHEMBL2061300 | 0.74 | GAA (0.60) | — | |
| SCHEMBL28420032 | 0.74 | ALK (0.54) | — |
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 |