⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5209222 | 1.00 | — | — | |
| SCHEMBL5209996 | 1.00 | — | — | |
| SCHEMBL5208317 | 0.98 | — | — | |
| SCHEMBL5209388 | 0.95 | — | — | |
| SCHEMBL5211909 | 0.91 | — | — | |
| SCHEMBL5212961 | 0.83 | — | — | |
| SCHEMBL5205235 | 0.82 | — | — | |
| SCHEMBL5238239 | 0.82 | — | — | |
| SCHEMBL6600240 | 0.81 | — | — | |
| SCHEMBL5208714 | 0.80 | — | — |
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-1388540-B1 | ACRYLIC ESTERS AND USE THEREOF | MITSUI CHEMICALS INC (JP) | 2007-09-05 | — | — | EP | disclosed |
| EP-1388540-A1 | ACRYLIC ESTERS AND USE THEREOF | Mitsui Chemicals, Inc. (JP) | 2004-02-11 | — | — | EP | disclosed |