⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1598829 | 0.79 | TDP1 (0.35) | — | |
| SCHEMBL30818310 | 0.79 | TDP1 (0.35) | — | |
| SCHEMBL27502108 | 0.79 | — | — | |
| SCHEMBL19986 | 0.79 | — | — | |
| SCHEMBL1364566 | 0.78 | ALDH1A1 (0.32) | — | |
| Ammonia Solution, Strong SCHEMBL8523236 | 0.75 | — | — | |
| Methyl Alcohol SCHEMBL9003943 | 0.75 | — | — | |
| SCHEMBL9051132 | 0.72 | — | — | |
| Isopropyl Alcohol SCHEMBL29031793 | 0.72 | ALDH1A1 (0.50) | — | |
| Isobutane SCHEMBL3986587 | 0.71 | — | — |
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-111087957-A | Adhesive composition, cured product, optical member, touch panel, liquid crystal sealing agent, and liquid crystal display unit | 日本化药株式会社 | 2020-05-01 | — | — | CN | disclosed |