⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28969184 | 0.73 | CYP3A4 (0.30) | — | |
| SCHEMBL5842929 | 0.72 | SLC6A4 (0.38) | — | |
| SCHEMBL5843905 | 0.72 | SLC6A4 (0.38) | — | |
| SCHEMBL5843901 | 0.72 | SLC6A4 (0.38) | — | |
| SCHEMBL21670598 | 0.71 | FFAR1 (0.52) | — | |
| SCHEMBL11334424 | 0.69 | — | — | |
| SCHEMBL681637 | 0.69 | PTGS1 (0.43) | — | |
| SCHEMBL17700857 | 0.67 | FFAR1 (0.38) | — | |
| SCHEMBL17240209 | 0.66 | IDH1 (0.38) | — | |
| SCHEMBL16319428 | 0.66 | FFAR1 (0.35) | — |
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-115867536-A | GPR40 agonists | 卡尔优普公司 | 2023-03-28 | — | — | CN | disclosed |
| CN-115667277-A | GPR40 agonists | 卡尔优普公司 | 2023-01-31 | — | — | CN | disclosed |