⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14305276 | 0.80 | — | — | |
| Fluoride SCHEMBL914909 | 0.78 | — | — | |
| SCHEMBL915096 | 0.78 | — | — | |
| SCHEMBL22279743 | 0.76 | CYP1A2 (0.31) | — | |
| SCHEMBL12705763 | 0.75 | — | — | |
| SCHEMBL19651525 | 0.75 | — | — | |
| SCHEMBL915783 | 0.73 | — | — | |
| SCHEMBL11501561 | 0.71 | CYP3A4 (0.30) | — | |
| SCHEMBL10584467 | 0.71 | CYP3A4 (0.30) | — | |
| SCHEMBL31519178 | 0.71 | TP53 (0.37) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2046735-B1 | SUBSTITUTED PHENYLSULFUR TRIFLUORIDES AS FLUORINATING AGENTS | UBE INDUSTRIES (JP) | 2015-05-06 | — | — | EP | disclosed |
| US-7919635-B2 | Substituted phenylsulfur trifluoride and other like fluorinating agents | UBE INDUSTRIES, LTD. (JP) | 2011-04-05 | — | — | US | disclosed |
| US-20090203924-A1 | SUBSTITUTED PHENYLSULFUR TRIFLUORIDE AND OTHER LIKE FLUORINATING AGENTS | IM&T RESEARCH, INC. (US) | 2009-08-13 | — | — | US | disclosed |
| WO-2008014345-A2 | SUBSTITUTED PHENYLSULFUR TRIFLUORIDE AND OTHER LIKE FLUORINATING AGENTS | IM & T RESEARCH, INC. (US) | 2008-01-31 | — | — | WO | disclosed |