⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15956010 | 0.95 | — | — | |
| SCHEMBL7602 | 0.82 | — | — | |
| SCHEMBL17035901 | 0.82 | — | — | |
| SCHEMBL64958 | 0.82 | — | — | |
| Tert-Butanol SCHEMBL384629 | 0.78 | — | — | |
| Fluoride SCHEMBL23673680 | 0.76 | — | — | |
| SCHEMBL8208266 | 0.76 | — | — | |
| Fluoride SCHEMBL21834012 | 0.76 | — | — | |
| Iodide SCHEMBL1198681 | 0.76 | — | — | |
| Ammonia Solution, Strong SCHEMBL11136564 | 0.76 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-9856275-B2 | Synthesis and use of fluorinated compounds | THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) | 2018-01-02 | — | — | US | disclosed |
| US-20160002270-A1 | SYNTHESIS AND USE OF FLUORINATED COMPOUNDS | NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT | 2016-01-07 | — | — | US | disclosed |
| WO-2014126990-A1 | SYNTHESIS AND USE OF FLUORINATED COMPOUNDS | THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) | 2014-08-21 | — | — | WO | disclosed |