⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5204526 | 0.92 | TSHR (0.32) | — | |
| SCHEMBL5210992 | 0.88 | THRB (0.32) | — | |
| SCHEMBL5209131 | 0.83 | — | — | |
| SCHEMBL5213429 | 0.82 | TSHR (0.36) | — | |
| SCHEMBL5212027 | 0.80 | THRB (0.31) | — | |
| SCHEMBL5209752 | 0.78 | TSHR (0.33) | — | |
| SCHEMBL5209646 | 0.78 | CYP1A2 (0.30) | — | |
| SCHEMBL5208724 | 0.77 | THRB (0.35) | — | |
| SCHEMBL5209541 | 0.77 | THRB (0.32) | — | |
| SCHEMBL5209638 | 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 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 |