⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28901080 | 0.81 | TSHR (0.30) | — | |
| SCHEMBL3096305 | 0.79 | — | — | |
| SCHEMBL466386 | 0.79 | GRIK1 (0.31) | — | |
| SCHEMBL884190 | 0.77 | — | — | |
| SCHEMBL28552161 | 0.77 | — | — | |
| SCHEMBL9279118 | 0.77 | GRIK1 (0.31) | — | |
| SCHEMBL355298 | 0.76 | LMNA (0.31) | — | |
| SCHEMBL1764672 | 0.74 | — | — | |
| Allylamine SCHEMBL7644044 | 0.74 | ALDH1A1 (0.36) | — | |
| Phosphoric Acid SCHEMBL2161508 | 0.73 | ANPEP (0.31) | — |
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-109370615-B | Application of zwitterionic dopant in preparation of liquid crystal material based on dynamic scattering mode | 深圳市国华光电科技有限公司 | 2020-09-15 | — | — | CN | disclosed |