⚠ 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 | |
|---|---|---|---|---|
| Benzoic Acid SCHEMBL28663196 | 0.75 | TSHR (0.88) | — | |
| Benzophenone SCHEMBL27778625 | 0.75 | ALDH1A1 (0.88) | — | |
| SCHEMBL4964244 | 0.75 | — | — | |
| Benzophenone SCHEMBL6061130 | 0.73 | ALDH1A1 (1.00) | — | |
| Benzil SCHEMBL66 | 0.73 | CES2 (1.00) | — | |
| Benzil SCHEMBL9517636 | 0.73 | CES2 (1.00) | — | |
| Benzoic Acid SCHEMBL976149 | 0.73 | TSHR (1.00) | — | |
| Benzoic Acid SCHEMBL975929 | 0.73 | TSHR (1.00) | — | |
| Benzoic Acid SCHEMBL149318 | 0.73 | TSHR (1.00) | — | |
| Benzoic Acid SCHEMBL7719037 | 0.73 | TSHR (1.00) | — |
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-119842388-A | Quantum dot material based on viologen group and gel patch, preparation method and application thereof | 西安交通大学 | 2025-04-18 | — | — | CN | disclosed |