⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1154368 | 0.84 | — | — | |
| SCHEMBL4861380 | 0.82 | — | — | |
| Sulfur Dioxide SCHEMBL28461511 | 0.78 | TSHR (0.33) | — | |
| SCHEMBL11874660 | 0.74 | TSHR (0.32) | — | |
| SCHEMBL29656 | 0.73 | CA2 (0.39) | — | |
| Allylamine SCHEMBL28944603 | 0.72 | ALDH1A1 (0.35) | — | |
| Sulfuric Acid SCHEMBL6461430 | 0.71 | CA2 (0.34) | — | |
| SCHEMBL20526044 | 0.71 | CA2 (0.37) | — | |
| Ammonia Solution, Strong SCHEMBL4653036 | 0.71 | CA2 (0.37) | — | |
| SCHEMBL27791503 | 0.71 | BTN3A1 (0.33) | — |
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-111526994-B | Printing pretreatment liquid, printing base material, and image recording method | 富士胶片株式会社 | 2022-07-08 | — | — | CN | disclosed |