⚠ 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 | |
|---|---|---|---|---|
| Isopropylamine SCHEMBL11755610 | 0.72 | ALDH1A1 (0.31) | — | |
| SCHEMBL13417336 | 0.69 | ALDH1A1 (0.31) | — | |
| SCHEMBL21375499 | 0.69 | ALDH1A1 (0.31) | — | |
| SCHEMBL3459506 | 0.69 | — | — | |
| SCHEMBL1630403 | 0.69 | ALDH1A1 (0.31) | — | |
| Methylamine SCHEMBL6859172 | 0.68 | — | — | |
| SCHEMBL10710281 | 0.67 | — | — | |
| SCHEMBL20843891 | 0.67 | — | — | |
| SCHEMBL3751552 | 0.66 | ALDH1A1 (0.30) | — | |
| SCHEMBL22407 | 0.66 | ALDH1A1 (0.30) | — |
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-117794960-A | Hydrophilic copolymers and hydrophilic compositions | 信越化学工业株式会社 | 2024-03-29 | — | — | CN | disclosed |