⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29124105 | 1.00 | — | — | |
| Trifluoroacetic Acid SCHEMBL30705863 | 0.87 | CHRNB2 (0.33) | — | |
| Trifluoroacetic Acid SCHEMBL29124115 | 0.87 | CHRNB2 (0.33) | — | |
| SCHEMBL29124137 | 0.75 | — | — | |
| SCHEMBL8829066 | 0.74 | KCNH2 (0.33) | — | |
| SCHEMBL24824549 | 0.73 | — | — | |
| Trifluoroacetic Acid SCHEMBL30705865 | 0.72 | CHRNB2 (0.32) | — | |
| Trifluoroacetic Acid SCHEMBL29124157 | 0.72 | CHRNB2 (0.32) | — | |
| SCHEMBL19015627 | 0.72 | — | — | |
| SCHEMBL28455816 | 0.67 | CA2 (0.32) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-117229289-A | Preparation and application of EGFR inhibitor with macrocyclic structure | 药雅科技(上海)有限公司 | 2023-12-15 | — | — | CN | disclosed |