⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5205408 | 0.92 | — | — | |
| SCHEMBL5211985 | 0.92 | — | — | |
| SCHEMBL5210484 | 0.77 | — | — | |
| SCHEMBL5209969 | 0.76 | — | — | |
| SCHEMBL5212238 | 0.76 | — | — | |
| SCHEMBL6602199 | 0.75 | — | — | |
| SCHEMBL5212365 | 0.75 | — | — | |
| SCHEMBL4186988 | 0.74 | — | — | |
| SCHEMBL23152042 | 0.73 | — | — | |
| SCHEMBL5210005 | 0.72 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1388540-B1 | ACRYLIC ESTERS AND USE THEREOF | MITSUI CHEMICALS INC (JP) | 2007-09-05 | — | — | EP | disclosed |
| US-6835844-B2 | Acrylic esters and use thereof | MITSUI CHEMICALS, INC. (JP) | 2004-12-28 | — | — | US | disclosed |
| EP-1388540-A1 | ACRYLIC ESTERS AND USE THEREOF | Mitsui Chemicals, Inc. (JP) | 2004-02-11 | — | — | EP | disclosed |