⚠ 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 | |
|---|---|---|---|---|
| Chloroacetone SCHEMBL28597853 | 0.92 | — | — | |
| Chloroacetone SCHEMBL19827 | 0.92 | — | — | |
| Chloroacetone SCHEMBL11195694 | 0.92 | ALDH1A1 (0.50) | — | |
| Chloroacetone SCHEMBL28662787 | 0.88 | — | — | |
| Chloroacetone SCHEMBL10367710 | 0.88 | — | — | |
| Chloroacetone SCHEMBL28399015 | 0.88 | — | — | |
| Chloroacetone SCHEMBL4573581 | 0.88 | — | — | |
| Chloroacetone SCHEMBL8773185 | 0.81 | — | — | |
| Benzene SCHEMBL11070573 | 0.81 | TSHR (0.50) | — | |
| Chloroacetone SCHEMBL8837888 | 0.81 | — | — |
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-118271567-A | Preparation method of hyperbranched modified poly (urethane-acrylic) resin and application of hyperbranched modified poly (urethane-acrylic) resin in cold-stamping connecting material | 江苏众立生包装科技有限公司 | 2024-07-02 | — | — | CN | claimed |
| CN-118271567-A | Preparation method of hyperbranched modified poly (urethane-acrylic) resin and application of hyperbranched modified poly (urethane-acrylic) resin in cold-stamping connecting material | 江苏众立生包装科技有限公司 | 2024-07-02 | — | — | CN | disclosed |