⚠ 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 | |
|---|---|---|---|---|
| Acetic Acid Butyl Ester SCHEMBL28149960 | 0.97 | ALDH1A1 (0.90) | — | |
| Acetic Acid Butyl Ester SCHEMBL8026335 | 0.97 | ALDH1A1 (1.00) | — | |
| Acetic Acid Butyl Ester SCHEMBL1350194 | 0.97 | — | — | |
| Acetic Acid Butyl Ester SCHEMBL28960923 | 0.97 | ALDH1A1 (1.00) | — | |
| Acetic Acid Butyl Ester SCHEMBL14969 | 0.97 | — | — | |
| Acetic Acid Butyl Ester SCHEMBL28984633 | 0.97 | ALDH1A1 (1.00) | — | |
| Acetic Acid Butyl Ester SCHEMBL25225804 | 0.95 | — | — | |
| Acetic Acid Butyl Ester SCHEMBL1259425 | 0.95 | — | — | |
| Acetic Acid Butyl Ester SCHEMBL4655454 | 0.95 | — | — | |
| Acetic Acid Butyl Ester SCHEMBL3339778 | 0.95 | — | — |
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-110436424-A | A kind of preparation method of double fluorine sulfimides and double fluorine sulfimide lithiums | HUNAN FUBANG NEW MAT CO LTD | 2019-11-12 | — | — | CN | disclosed |
| CN-105377811-A | Cyanostilbenes | ROLIC AG | 2016-03-02 | — | — | CN | disclosed |