⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10992368 | 0.78 | — | — | |
| SCHEMBL6892481 | 0.67 | EPHX1 (0.32) | — | |
| SCHEMBL9632169 | 0.67 | GRIN2D (0.30) | — | |
| SCHEMBL2077473 | 0.62 | TDP1 (0.32) | — | |
| SCHEMBL1558931 | 0.59 | GRIN2D (0.56) | — | |
| SCHEMBL2526683 | 0.57 | EPHX1 (0.33) | — | |
| SCHEMBL2074745 | 0.55 | — | — | |
| SCHEMBL6361873 | 0.54 | — | — | |
| SCHEMBL10993282 | 0.53 | — | — | |
| SCHEMBL11161940 | 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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4529786-A | Acrylate and methacrylate monoesters of pentaerythritol and pentaerythritol orthoesters and polymers and copolymers derived therefrom | CELANESE CORPORATION (US) | 1985-07-16 | — | — | US | disclosed |
| US-4526949-A | Vinyl acrylic copolymer incorporating alpha, beta-ethylenically unsaturated monoester | CELANESE CORPORATION (US) | 1985-07-02 | — | — | US | disclosed |
| US-4405798-A | CHEMICAL INTERMEDIATES | CELANESE CORPORATION (US) | 1983-09-20 | — | — | US | disclosed |