⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22912248 | 0.80 | — | — | |
| SCHEMBL21264089 | 0.78 | — | — | |
| SCHEMBL20259738 | 0.77 | — | — | |
| SCHEMBL22779556 | 0.72 | — | — | |
| SCHEMBL14885908 | 0.72 | — | — | |
| SCHEMBL19509513 | 0.72 | — | — | |
| SCHEMBL21650318 | 0.69 | — | — | |
| SCHEMBL28267 | 0.69 | CYP2C9 (0.33) | — | |
| SCHEMBL11418901 | 0.67 | — | — | |
| SCHEMBL13381508 | 0.67 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-4234566-A1 | MODIFIED NUCLEOSIDE OR NUCLEOTIDE | BGI Shenzhen (CN) | 2023-08-30 | — | — | EP | disclosed |
| EP-3190108-B1 | HETEROCYCLIC MODULATORS OF LIPID SYNTHESIS | SAGIMET BIOSCIENCES INC (US) | 2021-05-19 | — | — | EP | disclosed |