⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22028071 | 1.00 | ALDH1A1 (0.38) | — | |
| SCHEMBL202872 | 1.00 | ALDH1A1 (0.38) | — | |
| SCHEMBL8054304 | 0.89 | — | — | |
| SCHEMBL2206 | 0.89 | — | — | |
| SCHEMBL8525707 | 0.84 | — | — | |
| Water SCHEMBL5438890 | 0.84 | — | — | |
| SCHEMBL9078915 | 0.84 | — | — | |
| Hydrochloric Acid SCHEMBL6541913 | 0.84 | — | — | |
| SCHEMBL30146908 | 0.84 | — | — | |
| SCHEMBL28235050 | 0.84 | ALDH1A1 (0.40) | — |
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-105924637-B | A method of polyoxyalkylene polymers of the production containing crosslinkable silyl | 陶氏环球技术有限责任公司 | 2019-04-19 | — | — | CN | disclosed |