⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12285704 | 0.73 | — | — | |
| SCHEMBL2417229 | 0.72 | — | — | |
| SCHEMBL12285007 | 0.71 | — | — | |
| SCHEMBL7614947 | 0.70 | — | — | |
| SCHEMBL982803 | 0.69 | THRB (0.32) | — | |
| Fluoride SCHEMBL18916923 | 0.66 | — | — | |
| SCHEMBL18167955 | 0.66 | — | — | |
| SCHEMBL945902 | 0.64 | CA2 (0.33) | — | |
| SCHEMBL19170060 | 0.64 | — | — | |
| SCHEMBL19177091 | 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 |
|---|---|---|---|---|---|---|---|
| EP-2552638-B1 | NITROGEN-CONTAINING FLUOROKETONES FOR HIGH TEMPERATURE HEAT TRANSFER | 3M INNOVATIVE PROPERTIES CO (US) | 2015-04-22 | — | — | EP | disclosed |
| US-8535559-B2 | Nitrogen-containing fluoroketones for high temperature heat transfer | 3M INNOVATIVE PROPERTIES COMPANY (US) | 2013-09-17 | — | — | US | disclosed |
| US-20110232870-A1 | NITROGEN-CONTAINING FLUOROKETONES FOR HIGH TEMPERATURE HEAT TRANSFER | 3M INNOVATION PROPERTIES COMPANY | 2011-09-29 | — | — | US | disclosed |