⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23026 | 0.98 | — | — | |
| SCHEMBL5586920 | 0.98 | ALDH1A1 (0.52) | — | |
| Ethylene SCHEMBL625068 | 0.95 | ALDH1A1 (0.50) | — | |
| Propene SCHEMBL11850191 | 0.93 | ALDH1A1 (0.48) | — | |
| Alcohol SCHEMBL2592803 | 0.93 | ALDH1A1 (0.48) | — | |
| Water SCHEMBL28124940 | 0.93 | ALDH1A1 (0.48) | — | |
| Vinyl Chloride SCHEMBL8507464 | 0.91 | ALDH1A1 (0.46) | — | |
| SCHEMBL3103896 | 0.91 | ALDH1A1 (0.52) | — | |
| Acetic Acid SCHEMBL8679016 | 0.91 | ALDH1A1 (0.46) | — | |
| SCHEMBL10823225 | 0.91 | ALDH1A1 (0.46) | — |
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-105722868-A | Method for producing thermally expandable microspheres and use thereof | 松本油脂制药株式会社 | 2016-06-29 | — | — | CN | disclosed |