⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10207635 | 0.78 | — | — | |
| SCHEMBL2074745 | 0.61 | — | — | |
| SCHEMBL11671214 | 0.57 | — | — | |
| SCHEMBL2526681 | 0.57 | — | — | |
| SCHEMBL10740777 | 0.56 | — | — | |
| SCHEMBL6983611 | 0.56 | MEN1 (0.31) | — | |
| SCHEMBL6361872 | 0.56 | — | — | |
| SCHEMBL23754341 | 0.53 | — | — | |
| SCHEMBL19024102 | 0.53 | — | — | |
| SCHEMBL23754340 | 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 |