⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20126553 | 0.83 | MMP2 (0.30) | — | |
| SCHEMBL13867705 | 0.75 | — | — | |
| SCHEMBL1104779 | 0.73 | — | — | |
| SCHEMBL1402642 | 0.66 | — | — | |
| SCHEMBL679862 | 0.66 | NLRP3 (0.39) | — | |
| SCHEMBL1275536 | 0.66 | — | — | |
| SCHEMBL6847898 | 0.65 | — | — | |
| SCHEMBL420201 | 0.64 | — | — | |
| SCHEMBL8156314 | 0.64 | TDP1 (0.41) | — | |
| SCHEMBL14629612 | 0.63 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-10287245-B2 | Liquid thioether carboxylic acid esters | BASF SE (DE) | 2019-05-14 | — | — | US | disclosed |
| US-20180127363-A1 | LIQUID THIOETHER CARBOXYLIC ACID ESTERS | BASF SE (DE) | 2018-05-10 | — | — | US | disclosed |
| US-20180127363-A1 | LIQUID THIOETHER CARBOXYLIC ACID ESTERS | BASF SE (DE) | 2018-05-10 | — | — | US | disclosed |