⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1562552 | 0.67 | — | — | |
| SCHEMBL11643906 | 0.66 | — | — | |
| SCHEMBL11607004 | 0.61 | — | — | |
| SCHEMBL2451369 | 0.61 | — | — | |
| SCHEMBL11641869 | 0.61 | — | — | |
| SCHEMBL9550144 | 0.60 | — | — | |
| SCHEMBL9712391 | 0.60 | — | — | |
| SCHEMBL8628514 | 0.60 | — | — | |
| SCHEMBL8815182 | 0.58 | NLRP3 (0.30) | — | |
| SCHEMBL17672640 | 0.57 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-105801454-A | Method for preparation of 2-(2,2-difluoroethoxy)-6-(trifluoromethyl)benzene-1-sulfonyl chloride | 沈阳中化农药化工研发有限公司 | 2016-07-27 | — | — | CN | claimed |
| CN-105801454-A | Method for preparation of 2-(2,2-difluoroethoxy)-6-(trifluoromethyl)benzene-1-sulfonyl chloride | 沈阳中化农药化工研发有限公司 | 2016-07-27 | — | — | CN | disclosed |
| CN-105801454-A | Method for preparation of 2-(2,2-difluoroethoxy)-6-(trifluoromethyl)benzene-1-sulfonyl chloride | 沈阳中化农药化工研发有限公司 | 2016-07-27 | — | — | CN | disclosed |