⚠ 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 | |
|---|---|---|---|---|
| Fluoride Ion SCHEMBL1894048 | 0.84 | ALDH1A1 (0.33) | — | |
| Fluoride Ion SCHEMBL1896839 | 0.77 | — | — | |
| Iodide SCHEMBL7626491 | 0.75 | PTGS1 (0.38) | — | |
| Iodide SCHEMBL7631942 | 0.75 | PTGS1 (0.38) | — | |
| Bromide SCHEMBL1534003 | 0.62 | ALDH1A1 (0.33) | — | |
| Fluoride Ion SCHEMBL1896294 | 0.61 | — | — | |
| Fluoride Ion SCHEMBL1900594 | 0.59 | — | — | |
| Butane SCHEMBL21632359 | 0.57 | INMT (0.32) | — | |
| Butane SCHEMBL28253617 | 0.57 | INMT (0.32) | — | |
| Bromide SCHEMBL1537042 | 0.54 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1698606-B1 | FLUORINATING AGENT AND METHOD FOR PRODUCING FLUORINE-CONTAINING COMPOUND USING SAME | SUMITOMO CHEMICAL CO (JP) | 2013-02-20 | — | — | EP | disclosed |
| US-7939697-B2 | Fluorinating agent and method for producing fluorine-containing compound using the same | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2011-05-10 | — | — | US | disclosed |
| US-20090287025-A1 | Fluorinating agent and method for producing fluorine-containing compound using the same | SUMITOMO CHEMICAL COMPANY, LIMITED | 2009-11-19 | — | — | US | disclosed |
| US-7569703-B2 | Fluorinating agent and method for producing fluorine-containing compound using the same | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2009-08-04 | — | — | US | disclosed |
| US-20070135634-A1 | Fluorinating agent and method for producing fluorine-containing compound using the same | SUMITOMO CHEMICAL COMPANY, LIMITED | 2007-06-14 | — | — | US | disclosed |
| EP-1698606-A1 | FLUORINATING AGENT AND METHOD FOR PRODUCING FLUORINE-CONTAINING COMPOUND USING SAME | Sumitomo Chemical Company, Limited (JP) | 2006-09-06 | — | — | EP | disclosed |