⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16228093 | 0.91 | SGPL1 (0.42) | — | |
| SCHEMBL21712460 | 0.76 | — | — | |
| SCHEMBL14063889 | 0.75 | — | — | |
| SCHEMBL28102742 | 0.75 | — | — | |
| SCHEMBL15373551 | 0.75 | — | — | |
| SCHEMBL13824401 | 0.75 | ALDH1A1 (0.41) | — | |
| SCHEMBL13824276 | 0.75 | ALDH1A1 (0.41) | — | |
| SCHEMBL23038325 | 0.73 | SGPL1 (0.33) | — | |
| SCHEMBL22609509 | 0.73 | — | — | |
| SCHEMBL16180731 | 0.73 | SGPL1 (0.40) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-117126393-A | Single-molecular-weight precise annular polyethylene glycol functional molecule, and preparation method and application thereof | 中国科学技术大学 | 2023-11-28 | — | — | CN | disclosed |