⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL393949 | 0.69 | ALDH1A1 (0.40) | — | |
| Hydrochloric Acid SCHEMBL7924149 | 0.67 | ALDH1A1 (0.38) | — | |
| SCHEMBL28838098 | 0.64 | — | — | |
| SCHEMBL5846438 | 0.64 | — | — | |
| SCHEMBL700612 | 0.64 | — | — | |
| SCHEMBL953874 | 0.64 | — | — | |
| SCHEMBL1141917 | 0.64 | — | — | |
| Hydrochloric Acid SCHEMBL15770586 | 0.62 | — | — | |
| Iodide SCHEMBL3246741 | 0.62 | — | — | |
| Hydrochloric Acid SCHEMBL5425077 | 0.62 | — | — |
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-113195591-A | Polyether polymerization process | 陶氏环球技术有限责任公司 | 2021-07-30 | — | — | CN | disclosed |