⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL31378068 | 0.86 | — | — | |
| SCHEMBL31378064 | 0.82 | ENPEP (0.36) | — | |
| SCHEMBL16975026 | 0.82 | TP53 (0.35) | — | |
| SCHEMBL16975025 | 0.82 | TP53 (0.35) | — | |
| SCHEMBL31378127 | 0.79 | — | — | |
| SCHEMBL29025828 | 0.74 | HPGDS (0.31) | — | |
| SCHEMBL29025827 | 0.74 | HPGDS (0.31) | — | |
| SCHEMBL31472581 | 0.73 | MME (0.37) | — | |
| SCHEMBL31378062 | 0.72 | ALDH1A1 (0.35) | — | |
| SCHEMBL1162265 | 0.68 | ALDH1A1 (0.47) | — |
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-119470877-A | Biotinylation modified amino acid probe, preparation method and application thereof, and method and application for identifying amino acid binding protein | 同济大学 | 2025-02-18 | — | — | CN | disclosed |