⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL574821 | 0.93 | CA1 (0.45) | — | |
| SCHEMBL29060 | 0.93 | — | — | |
| SCHEMBL3705478 | 0.93 | — | — | |
| SCHEMBL4698695 | 0.90 | — | — | |
| Ammonia Solution, Strong SCHEMBL28271736 | 0.90 | — | — | |
| Cyclopropane SCHEMBL16197594 | 0.90 | CA1 (0.43) | — | |
| Ethylene SCHEMBL9799769 | 0.86 | ALDH1A1 (0.41) | — | |
| Fluoride SCHEMBL29068327 | 0.86 | — | — | |
| SCHEMBL2032674 | 0.86 | CA1 (0.53) | — | |
| SCHEMBL64894 | 0.86 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106572788-B | For sealing bronchial bronchus sealant | 伊西康内外科有限责任公司 | 2019-03-22 | — | — | CN | claimed |
| CN-109535296-A | The preparation method of polyvinylpyridine block copolymer | 嘉兴学院 | 2019-03-29 | — | — | CN | disclosed |