⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17340426 | 0.85 | — | — | |
| SCHEMBL28105335 | 0.83 | — | — | |
| SCHEMBL28105881 | 0.83 | — | — | |
| SCHEMBL296237 | 0.75 | — | — | |
| SCHEMBL27627658 | 0.73 | — | — | |
| Water SCHEMBL28320241 | 0.73 | — | — | |
| SCHEMBL2945621 | 0.73 | — | — | |
| SCHEMBL6672374 | 0.72 | — | — | |
| SCHEMBL1049806 | 0.70 | — | — | |
| Ethylene SCHEMBL27405348 | 0.70 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0434546-B1 | PROCESS FOR THE SELECTIVE EPOXIDATION OF UNSATURATED (METH)ACRYLIC COMPOUNDS AND NEW OBTAINED BIFUNCTIONAL (METH)ACRYLATES | ELF ATOCHEM S.A. (FR) | 1993-05-19 | — | — | EP | disclosed |
| EP-0434546-A1 | Process for the selective epoxidation of unsaturated (meth)acrylic compounds and new obtained bifunctional (meth)acrylates | ELF ATOCHEM S.A. (FR) | 1991-06-26 | — | — | EP | disclosed |