⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18948262 | 0.78 | CA12 (0.33) | — | |
| SCHEMBL21465960 | 0.69 | — | — | |
| SCHEMBL25826640 | 0.69 | — | — | |
| SCHEMBL20244236 | 0.68 | HRH3 (0.32) | — | |
| SCHEMBL13455576 | 0.67 | — | — | |
| SCHEMBL19275744 | 0.66 | PIK3C3 (0.36) | — | |
| SCHEMBL19574059 | 0.66 | CHRNB4 (0.36) | — | |
| SCHEMBL26026703 | 0.65 | HRH3 (0.40) | — | |
| SCHEMBL26028127 | 0.64 | HRH3 (0.40) | — | |
| SCHEMBL16432708 | 0.63 | PIK3C3 (0.33) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20230219986-A1 | NOVEL AMINOPYRIMIDINE EGFR INHIBITOR | QILU PHARMACEUTICAL CO., LTD. (CN) | 2023-07-13 | — | — | US | disclosed |