⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL440907 | 0.77 | — | — | |
| SCHEMBL1527699 | 0.77 | ALDH1A1 (0.62) | — | |
| SCHEMBL6275471 | 0.76 | — | — | |
| SCHEMBL27343770 | 0.74 | — | — | |
| SCHEMBL700000 | 0.74 | ALDH1A1 (0.46) | — | |
| SCHEMBL5374375 | 0.73 | ALDH1A1 (0.57) | — | |
| SCHEMBL11521868 | 0.73 | ALDH1A1 (0.57) | — | |
| Acetic Acid Butyl Ester SCHEMBL14969 | 0.72 | — | — | |
| Acetic Acid Butyl Ester SCHEMBL8026335 | 0.72 | ALDH1A1 (1.00) | — | |
| SCHEMBL5225033 | 0.72 | — | — |
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-103242702-B | Uv-curing type ink jet compositions and record thing | 精工爱普生株式会社 | 2016-07-13 | — | — | CN | disclosed |