⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL31243128 | 1.00 | — | — | |
| SCHEMBL14104636 | 0.75 | — | — | |
| Hydrochloric Acid SCHEMBL30388875 | 0.75 | — | — | |
| SCHEMBL17229205 | 0.74 | — | — | |
| SCHEMBL7996476 | 0.70 | ALDH1A1 (0.35) | — | |
| SCHEMBL28807262 | 0.70 | ALDH1A1 (0.35) | — | |
| SCHEMBL28180007 | 0.70 | ALDH1A1 (0.35) | — | |
| SCHEMBL27979361 | 0.70 | ALDH1A1 (0.35) | — | |
| SCHEMBL2517442 | 0.70 | ALDH1A1 (0.35) | — | |
| SCHEMBL14562749 | 0.70 | ALDH1A1 (0.35) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-119000827-B | Ion selective electrode for detecting chlorate and preparation method thereof | 湖南大学 | 2025-01-03 | — | — | CN | claimed |
| CN-119000827-A | Ion selective electrode for detecting chlorate and preparation method thereof | 湖南大学 | 2024-11-22 | — | — | CN | claimed |
| CN-119000827-A | Ion selective electrode for detecting chlorate and preparation method thereof | 湖南大学 | 2024-11-22 | — | — | CN | disclosed |