⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10455724 | 0.66 | CYP2C19 (0.47) | — | |
| SCHEMBL29077707 | 0.66 | HSP90AA1 (0.31) | — | |
| SCHEMBL9998921 | 0.64 | — | — | |
| SCHEMBL28464860 | 0.64 | — | — | |
| SCHEMBL7750501 | 0.62 | — | — | |
| SCHEMBL2756774 | 0.59 | GSK3A (0.40) | — | |
| SCHEMBL16582541 | 0.52 | — | — | |
| SCHEMBL2594729 | 0.52 | — | — | |
| SCHEMBL5075402 | 0.51 | — | — | |
| SCHEMBL2136863 | 0.51 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117466721-A | Method for synthesizing difluoro cyclobutenone based on ruthenium catalytic carbonylation reaction | 陕西先氟领创科技有限公司 | 2024-01-30 | — | — | CN | claimed |
| CN-117466721-B | Method for synthesizing difluoro cyclobutenone based on ruthenium catalytic carbonylation reaction | 宜昌诺安制药有限公司 | 2025-11-18 | — | — | CN | disclosed |
| CN-117466721-A | Method for synthesizing difluoro cyclobutenone based on ruthenium catalytic carbonylation reaction | 陕西先氟领创科技有限公司 | 2024-01-30 | — | — | CN | disclosed |
| CN-117466721-A | Method for synthesizing difluoro cyclobutenone based on ruthenium catalytic carbonylation reaction | 陕西先氟领创科技有限公司 | 2024-01-30 | — | — | CN | disclosed |
| CN-117466721-A | Method for synthesizing difluoro cyclobutenone based on ruthenium catalytic carbonylation reaction | 陕西先氟领创科技有限公司 | 2024-01-30 | — | — | CN | disclosed |