⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25001367 | 0.86 | KMT2A (0.32) | — | |
| SCHEMBL25822542 | 0.82 | OPRM1 (0.33) | — | |
| SCHEMBL25001365 | 0.78 | — | — | |
| SCHEMBL22182594 | 0.70 | — | — | |
| SCHEMBL19325729 | 0.70 | SOS1 (0.32) | — | |
| SCHEMBL25082216 | 0.69 | KMT2A (0.36) | — | |
| SCHEMBL25465671 | 0.69 | OPRM1 (0.33) | — | |
| SCHEMBL25465669 | 0.69 | OPRM1 (0.33) | — | |
| SCHEMBL24811600 | 0.67 | KMT2A (0.39) | — | |
| SCHEMBL19801472 | 0.67 | KMT2A (0.39) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-4129996-A1 | NOVEL AMINOPYRIMIDINE EGFR INHIBITOR | QILU PHARMACEUTICAL CO., LTD. (CN) | 2023-02-08 | — | — | EP | disclosed |