⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28521059 | 1.00 | — | — | |
| SCHEMBL17902958 | 0.78 | — | — | |
| SCHEMBL11273480 | 0.76 | — | — | |
| SCHEMBL15482702 | 0.76 | — | — | |
| SCHEMBL11273482 | 0.76 | — | — | |
| SCHEMBL28776366 | 0.72 | — | — | |
| SCHEMBL8115648 | 0.70 | — | — | |
| SCHEMBL5613692 | 0.70 | — | — | |
| SCHEMBL15482522 | 0.70 | HCAR2 (0.42) | — | |
| SCHEMBL8158142 | 0.69 | — | — |
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-104761544-B | The selective depressant of the important mutant of clinic of EGFR tyrosine kinase | 北京轩义医药科技有限公司 | 2019-03-15 | — | — | CN | disclosed |
| CN-104761544-A | Selectivity inhibitor of EGFR tyrosine kinase clinic important mutant | CS THERAPEUTICS INC | 2015-07-08 | — | — | CN | disclosed |