⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4358332 | 0.77 | — | — | |
| SCHEMBL6520634 | 0.75 | — | — | |
| SCHEMBL4362388 | 0.71 | — | — | |
| SCHEMBL4350760 | 0.69 | — | — | |
| SCHEMBL4356518 | 0.67 | — | — | |
| SCHEMBL4352590 | 0.65 | — | — | |
| SCHEMBL16162898 | 0.65 | — | — | |
| SCHEMBL9934657 | 0.62 | — | — | |
| SCHEMBL4353625 | 0.62 | — | — | |
| SCHEMBL13816315 | 0.59 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-107473950-B | Two (trifluoromethyl) -2,5- cyclohexadiene -1- ketone of 4- fragrance methylene -2,6- and preparation and application | 北京博诺安科科技有限公司 | 2019-02-15 | — | — | CN | disclosed |
| CN-107473950-A | 4 fragrant methylenes 2,6 2（Trifluoromethyl）The ketone of 2,5 cyclohexadiene 1 and preparation and application | 北京博诺安科科技有限公司 | 2017-12-15 | — | — | CN | disclosed |
| US-8487071-B2 | Polyether polymer and production process thereof | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2013-07-16 | — | — | US | disclosed |
| US-20110065889-A1 | POLYETHER POLYMER AND PRODUCTION PROCESS THEREOF | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2011-03-17 | — | — | US | disclosed |
| WO-2009142094-A1 | POLYETHER POLYMER AND PRODUCTION PROCESS THEREOF | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2009-11-26 | — | — | WO | disclosed |