⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21440032 | 0.79 | — | — | |
| SCHEMBL18938890 | 0.71 | — | — | |
| SCHEMBL895728 | 0.69 | ALDH1A1 (0.30) | — | |
| SCHEMBL12835518 | 0.67 | — | — | |
| SCHEMBL12835521 | 0.63 | NOS1 (0.33) | — | |
| SCHEMBL15166104 | 0.63 | — | — | |
| SCHEMBL19903738 | 0.63 | — | — | |
| SCHEMBL14959994 | 0.61 | ALDH1A1 (0.41) | — | |
| SCHEMBL23134911 | 0.59 | — | — | |
| SCHEMBL18184622 | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |