⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20582199 | 0.76 | — | — | |
| SCHEMBL151184 | 0.76 | — | — | |
| SCHEMBL28662864 | 0.76 | — | — | |
| SCHEMBL355778 | 0.76 | — | — | |
| SCHEMBL23793924 | 0.74 | CA1 (0.43) | — | |
| SCHEMBL11121098 | 0.74 | ALDH1A1 (0.39) | — | |
| SCHEMBL29761917 | 0.74 | CA1 (0.43) | — | |
| SCHEMBL272977 | 0.74 | CA1 (0.43) | — | |
| SCHEMBL31472783 | 0.74 | ALDH1A1 (0.39) | — | |
| Hydrogen Sulfide SCHEMBL28099567 | 0.74 | CA1 (0.43) | — |
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-119775173-A | Method for preparing 2, 3-dibromopropane sulfonic acid | 合肥立方制药股份有限公司 | 2025-04-08 | — | — | CN | disclosed |