⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22070186 | 1.00 | — | — | |
| Butadiene SCHEMBL27425173 | 0.68 | — | — | |
| SCHEMBL793905 | 0.64 | — | — | |
| Butadiene SCHEMBL28113500 | 0.59 | ALDH1A1 (0.38) | — | |
| Butadiene SCHEMBL27716785 | 0.59 | ALDH1A1 (0.38) | — | |
| Acrylonitrile SCHEMBL25232752 | 0.56 | ALDH1A1 (0.82) | — | |
| Butadiene SCHEMBL896198 | 0.56 | — | — | |
| Acrylonitrile SCHEMBL7774781 | 0.56 | ALDH1A1 (0.82) | — | |
| Acrylonitrile SCHEMBL7182391 | 0.56 | ALDH1A1 (0.82) | — | |
| Acrylonitrile SCHEMBL7856348 | 0.56 | ALDH1A1 (0.82) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2019078479-A1 | THERMOPLASTIC RESIN COMPOSITION AND MOLDED PRODUCT FORMED THEREFROM | 롯데첨단소재(주) | 2019-04-25 | — | — | WO | disclosed |
| WO-2018088677-A1 | THERMOPLASTIC RESIN AND THERMOPLASTIC RESIN COMPOSITION | (주) 엘지화학 | 2018-05-17 | — | — | WO | disclosed |