⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1222243 | 0.67 | — | — | |
| SCHEMBL1222244 | 0.67 | — | — | |
| SCHEMBL16010093 | 0.65 | — | — | |
| SCHEMBL16970337 | 0.64 | — | — | |
| SCHEMBL16970331 | 0.64 | — | — | |
| SCHEMBL25480078 | 0.64 | — | — | |
| 2,2,3-Trimethylbutane SCHEMBL11421995 | 0.62 | — | — | |
| SCHEMBL22590418 | 0.61 | — | — | |
| SCHEMBL3453274 | 0.61 | — | — | |
| SCHEMBL21445252 | 0.61 | — | — |
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-2023279986-A1 | SIX-MEMBERED ARYL OR HETEROARYL AMIDES, AND COMPOSITION AND USE THEREOF | 贝达药业股份有限公司 | 2023-01-12 | — | — | WO | disclosed |