⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2815 | 0.82 | — | — | |
| SCHEMBL10871026 | 0.82 | ALDH1A1 (0.46) | — | |
| SCHEMBL434958 | 0.82 | — | — | |
| SCHEMBL6799285 | 0.82 | ALDH1A1 (0.46) | — | |
| SCHEMBL437564 | 0.82 | — | — | |
| SCHEMBL10911453 | 0.78 | TDP1 (0.43) | — | |
| SCHEMBL8445125 | 0.78 | — | — | |
| SCHEMBL28408993 | 0.76 | — | — | |
| SCHEMBL9864905 | 0.76 | — | — | |
| Fluoride SCHEMBL11650106 | 0.76 | — | — |
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-116903502-A | Method for improving copper corrosion of olefin sulfide | 中国科学院上海高等研究院 | 2023-10-20 | — | — | CN | disclosed |