⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL196158 | 0.97 | — | — | |
| SCHEMBL27428637 | 0.93 | — | — | |
| Fluoride SCHEMBL27663149 | 0.93 | — | — | |
| SCHEMBL20214539 | 0.85 | ALDH1A1 (0.43) | — | |
| SCHEMBL13667833 | 0.79 | ALDH1A1 (0.50) | — | |
| SCHEMBL596177 | 0.69 | — | — | |
| Azobenzene SCHEMBL32032 | 0.67 | ALDH1A1 (1.00) | — | |
| Azobenzene SCHEMBL6562161 | 0.67 | ALDH1A1 (1.00) | — | |
| Azobenzene SCHEMBL11878769 | 0.67 | ALDH1A1 (1.00) | — | |
| SCHEMBL49629 | 0.67 | ALDH1A1 (0.60) | — |
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-114380928-B | Preparation method and application of mono-and bis-phenylthioimine vanadium olefin polymerization catalyst | 吉林大学 | 2022-09-30 | — | — | CN | disclosed |
| CN-114380928-A | Preparation method and application of mono-and bis-phenylthioimine vanadium olefin polymerization catalyst | 吉林大学 | 2022-04-22 | — | — | CN | disclosed |