⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5208425 | 0.92 | — | — | |
| SCHEMBL5211822 | 0.86 | SMN1; SMN2 (0.33) | — | |
| SCHEMBL5209128 | 0.82 | — | — | |
| SCHEMBL5205517 | 0.80 | — | — | |
| SCHEMBL5205090 | 0.78 | — | — | |
| SCHEMBL5210138 | 0.78 | ALDH1A1 (0.39) | — | |
| SCHEMBL9926628 | 0.78 | — | — | |
| SCHEMBL5212468 | 0.77 | — | — | |
| SCHEMBL5211514 | 0.77 | — | — | |
| SCHEMBL5210463 | 0.77 | — | — |
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 |