⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12595238 | 0.65 | — | — | |
| SCHEMBL7085574 | 0.63 | — | — | |
| SCHEMBL18766887 | 0.63 | — | — | |
| SCHEMBL17066451 | 0.63 | — | — | |
| SCHEMBL19772678 | 0.63 | — | — | |
| SCHEMBL20208570 | 0.59 | — | — | |
| SCHEMBL22782154 | 0.59 | — | — | |
| SCHEMBL22181177 | 0.59 | — | — | |
| SCHEMBL24815754 | 0.59 | — | — | |
| SCHEMBL17243874 | 0.59 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2021160087-A1 | QUINOLYL PHOSPHINE OXIDE COMPOUND, AND COMPOSITION AND APPLICATION THEREOF | 贝达药业股份有限公司 | 2021-08-19 | — | — | WO | disclosed |
| WO-2021057882-A1 | EGFR INHIBITOR, COMPOSITION AND PREPARATION METHOD THEREFOR | 贝达药业股份有限公司 | 2021-04-01 | — | — | WO | disclosed |