⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29004105 | 0.81 | ALDH1A1 (0.34) | — | |
| SCHEMBL29266797 | 0.81 | — | — | |
| SCHEMBL9444686 | 0.81 | TDP1 (0.34) | — | |
| SCHEMBL19112293 | 0.80 | ALOX15 (0.38) | — | |
| Propylene Glycol SCHEMBL5068933 | 0.79 | CHRM5 (0.37) | — | |
| SCHEMBL55735 | 0.77 | ALDH1A1 (0.43) | — | |
| Acetic Acid Pentyl Ester SCHEMBL28018468 | 0.76 | ALDH1A1 (0.49) | — | |
| Ethylene Glycol SCHEMBL21693892 | 0.76 | ALDH1A1 (0.39) | — | |
| Acetic Acid Methyl Ester SCHEMBL4243789 | 0.76 | ALDH1A1 (0.40) | — | |
| SCHEMBL29135195 | 0.76 | TSHR (0.36) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117186663-A | Liquid crystal aligning agent, liquid crystal alignment film and liquid crystal display element | 日产化学工业株式会社 | 2023-12-08 | — | — | CN | disclosed |
| CN-108139632-B | Liquid crystal display element | 日产化学工业株式会社 | 2023-12-05 | — | — | CN | disclosed |
| CN-116323702-A | Method for producing single-layer phase difference material | 日产化学株式会社 | 2023-06-23 | — | — | CN | disclosed |