⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL30711 | 0.97 | — | — | |
| SCHEMBL28129188 | 0.95 | — | — | |
| SCHEMBL28129187 | 0.95 | — | — | |
| SCHEMBL15974796 | 0.95 | — | — | |
| SCHEMBL28840612 | 0.95 | — | — | |
| Ammonia Solution, Strong SCHEMBL1743428 | 0.95 | — | — | |
| Fluoride SCHEMBL28105167 | 0.95 | — | — | |
| Propene SCHEMBL28085647 | 0.92 | USP2 (0.40) | — | |
| SCHEMBL1238185 | 0.92 | USP2 (0.40) | — | |
| Acrylamide SCHEMBL28742535 | 0.83 | TSHR (0.44) | — |
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-106459653-A | Hydrophilic single-layer film | 三井化学株式会社 | 2017-02-22 | — | — | CN | disclosed |