⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24233749 | 0.64 | — | — | |
| SCHEMBL5376335 | 0.64 | — | — | |
| SCHEMBL1630839 | 0.62 | — | — | |
| SCHEMBL21312047 | 0.62 | EGLN1 (0.33) | — | |
| SCHEMBL4058581 | 0.57 | — | — | |
| SCHEMBL12333657 | 0.57 | — | — | |
| SCHEMBL3313402 | 0.55 | — | — | |
| SCHEMBL13635797 | 0.53 | — | — | |
| SCHEMBL3767412 | 0.53 | — | — | |
| SCHEMBL9715235 | 0.53 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-8609667-B2 | E-type phenyl acrylic ester compounds containing substituted anilino pyrimidine group and uses thereof | SINOCHEM CORPORATION (CN) | 2013-12-17 | — | — | US | disclosed |
| US-20120035190-A1 | E-type Phenyl Acrylic Ester Compounds Containing Substituted Anilino Pyrimidine Group and Uses Thereof | SHENYANG SINOCHEM AGROCHEMICALS R&D CO., LTD. (CN) | 2012-02-09 | — | — | US | disclosed |