⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2866973 | 0.81 | — | — | |
| SCHEMBL26775526 | 0.78 | PSMB11 (0.31) | — | |
| SCHEMBL7105053 | 0.77 | — | — | |
| SCHEMBL28218966 | 0.77 | CA1 (0.37) | — | |
| SCHEMBL28261028 | 0.77 | — | — | |
| SCHEMBL2539972 | 0.76 | — | — | |
| Hydrochloric Acid SCHEMBL28261029 | 0.76 | — | — | |
| SCHEMBL22848369 | 0.72 | — | — | |
| SCHEMBL2542496 | 0.70 | — | — | |
| SCHEMBL14508950 | 0.69 | POLB (0.32) | — |
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-113896744-B | Selective EGFR inhibitor | 成都先导药物开发股份有限公司 | 2024-04-16 | — | — | CN | disclosed |