⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17868669 | 0.89 | — | — | |
| SCHEMBL17868674 | 0.87 | THRB (0.32) | — | |
| SCHEMBL28505012 | 0.87 | THRB (0.32) | — | |
| SCHEMBL17868703 | 0.87 | THRB (0.32) | — | |
| SCHEMBL10825908 | 0.78 | — | — | |
| SCHEMBL221793 | 0.77 | THRB (0.33) | — | |
| SCHEMBL6403975 | 0.77 | THRB (0.33) | — | |
| SCHEMBL8833140 | 0.76 | THRB (0.37) | — | |
| SCHEMBL1360173 | 0.74 | THRB (0.36) | — | |
| SCHEMBL5858215 | 0.72 | THRB (0.40) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-9604918-B2 | Carboxylic acid ester/carbamate compound with polymerizable functional group and fluorine atom group, and manufacturing method therefor | UNIMATEC CO., LTD. (JP) | 2017-03-28 | — | — | US | disclosed |
| US-20160185714-A1 | CARBOXYLIC ACID ESTER/CARBAMATE COMPOUND WITH POLYMERIZABLE FUNCTIONAL GROUP AND FLUORINE ATOM GROUP, AND MANUFACTURING METHOD THEREFOR | UNIMATEC CO., LTD. (JP) | 2016-06-30 | — | — | US | disclosed |