⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13499 | 0.78 | — | — | |
| Fluoride SCHEMBL21816906 | 0.74 | CA1 (0.57) | — | |
| Bromide SCHEMBL6770232 | 0.74 | — | — | |
| SCHEMBL6560890 | 0.74 | — | — | |
| SCHEMBL14924312 | 0.69 | — | — | |
| SCHEMBL22282521 | 0.69 | — | — | |
| SCHEMBL671340 | 0.69 | — | — | |
| SCHEMBL2430178 | 0.69 | — | — | |
| SCHEMBL197346 | 0.67 | BCL2L1 (0.55) | — | |
| SCHEMBL12562793 | 0.67 | BCL2L1 (0.55) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-9024093-B2 | Fluorination of organic compounds | PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) | 2015-05-05 | — | — | US | disclosed |
| US-20110312903-A1 | FLUORINATION OF ORGANIC COMPOUNDS | PRESIDENT AND FELLOWS OF HARVARD COLLEGE | 2011-12-22 | — | — | US | disclosed |
| CN-102272077-A | Fluorination of organic compounds | — | 2011-12-07 | — | — | CN | disclosed |
| EP-2376408-A2 | FLUORINATION OF ORGANIC COMPOUNDS | President and Fellows of Harvard College (US) | 2011-10-19 | — | — | EP | disclosed |
| WO-2010059943-A2 | FLUORINATION OF ORGANIC COMPOUNDS | PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) | 2010-05-27 | — | — | WO | disclosed |