⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2916007 | 0.91 | — | — | |
| Hydrochloric Acid SCHEMBL3316707 | 0.89 | HTR2C (0.31) | — | |
| Trifluoroacetic Acid SCHEMBL31395763 | 0.83 | PKM (0.36) | — | |
| SCHEMBL2917250 | 0.83 | — | — | |
| Formic Acid SCHEMBL30960933 | 0.79 | — | — | |
| SCHEMBL9313946 | 0.78 | — | — | |
| SCHEMBL214300 | 0.78 | — | — | |
| SCHEMBL15336501 | 0.77 | — | — | |
| SCHEMBL301922 | 0.77 | — | — | |
| SCHEMBL301923 | 0.77 | — | — |
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-2024022444-A1 | FUSED RING COMPOUND, PREPARATION METHOD THEREFOR AND MEDICINAL APPLICATION THEREOF | 江苏恒瑞医药股份有限公司 | 2024-02-01 | — | — | WO | disclosed |