⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL30875153 | 1.00 | — | — | |
| SCHEMBL22400560 | 0.79 | AGBL2 (0.30) | — | |
| SCHEMBL31125250 | 0.79 | HTT (0.31) | — | |
| SCHEMBL1748589 | 0.79 | NOS3 (0.34) | — | |
| SCHEMBL24343914 | 0.76 | PIK3CA (0.33) | — | |
| SCHEMBL25302869 | 0.73 | CHRNB2 (0.40) | — | |
| SCHEMBL30510560 | 0.73 | CHRNB2 (0.40) | — | |
| SCHEMBL31356611 | 0.71 | FFAR1 (0.33) | — | |
| SCHEMBL15055583 | 0.71 | — | — | |
| SCHEMBL24868766 | 0.70 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117715898-A | Six-membered aryl or heteroaryl amide compound, composition and application thereof | 贝达药业股份有限公司 | 2024-03-15 | — | — | CN | disclosed |
| 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 |