⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14520445 | 0.97 | — | — | |
| SCHEMBL314730 | 0.97 | — | — | |
| SCHEMBL12348981 | 0.97 | — | — | |
| SCHEMBL31506309 | 0.94 | — | — | |
| Ammonia Solution, Strong SCHEMBL1537853 | 0.94 | — | — | |
| SCHEMBL20899532 | 0.82 | TSHR (0.35) | — | |
| Acrylic Acid SCHEMBL28193030 | 0.82 | LMNA (0.48) | — | |
| SCHEMBL3502734 | 0.80 | — | — | |
| SCHEMBL2470458 | 0.78 | TSHR (0.30) | — | |
| SCHEMBL3195939 | 0.78 | GAPDH (0.35) | — |
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-109575267-A | Polyether-based polymers, cross-linked network polymer and electrochemical device | 上海交通大学 | 2019-04-05 | — | — | CN | disclosed |