⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6257916 | 0.78 | — | — | |
| SCHEMBL29480058 | 0.70 | — | — | |
| SCHEMBL1073280 | 0.68 | — | — | |
| SCHEMBL28859502 | 0.63 | ALDH1A1 (0.35) | — | |
| Benzene SCHEMBL28270966 | 0.62 | NAPRT (0.35) | — | |
| SCHEMBL7789812 | 0.61 | ALDH1A1 (0.41) | — | |
| SCHEMBL28406341 | 0.61 | GAA (0.36) | — | |
| SCHEMBL9276325 | 0.61 | KEAP1 (0.41) | — | |
| SCHEMBL29958355 | 0.61 | — | — | |
| SCHEMBL1238592 | 0.61 | MGLL (0.37) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117120486-A | Compound and method for producing same, polymerizable composition, polymer, hologram recording medium, optical material, and optical member | 三菱化学株式会社 | 2023-11-24 | — | — | CN | disclosed |
| CN-115215994-A | Reactive epoxy carboxylate compound, unsaturated group-containing polycarboxylic acid compound, photosensitive resin composition, and cured product | 日本化药株式会社 | 2022-10-21 | — | — | CN | disclosed |