⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19277217 | 0.94 | ALDH1A1 (0.47) | — | |
| SCHEMBL22711081 | 0.82 | ALDH1A1 (0.39) | — | |
| SCHEMBL31414975 | 0.82 | ALDH1A1 (0.45) | — | |
| SCHEMBL9513047 | 0.80 | ALDH1A1 (0.44) | — | |
| SCHEMBL9513044 | 0.80 | ALDH1A1 (0.44) | — | |
| SCHEMBL7690640 | 0.78 | ALDH1A1 (0.45) | — | |
| SCHEMBL1145336 | 0.77 | — | — | |
| SCHEMBL10399369 | 0.76 | ALDH1A1 (0.46) | — | |
| SCHEMBL8356970 | 0.75 | ALDH1A1 (0.40) | — | |
| SCHEMBL914855 | 0.75 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2020034759-A1 | LIQUID CRYSTAL COMPOSITION HAVING HIGH DIELECTRIC CONSTANT AND APPLICATION THEREOF | 晶美晟光电材料（南京）有限公司 | 2020-02-20 | — | — | WO | disclosed |