⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28082873 | 0.86 | — | — | |
| SCHEMBL5798834 | 0.82 | — | — | |
| SCHEMBL5587331 | 0.81 | — | — | |
| SCHEMBL122896 | 0.81 | — | — | |
| SCHEMBL1607695 | 0.79 | — | — | |
| SCHEMBL30565014 | 0.78 | — | — | |
| Ammonia Solution, Strong SCHEMBL28446373 | 0.78 | — | — | |
| SCHEMBL28285694 | 0.78 | — | — | |
| SCHEMBL28082428 | 0.78 | — | — | |
| SCHEMBL6559633 | 0.77 | — | — |
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-105814092-A | Composition for hydrophilic cured product | 三井化学株式会社 | 2016-07-27 | — | — | CN | disclosed |