⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1944398 | 0.83 | — | — | |
| SCHEMBL12370425 | 0.72 | — | — | |
| Ethane SCHEMBL235891 | 0.67 | — | — | |
| SCHEMBL8214816 | 0.55 | — | — | |
| Hydrogen Sulfide SCHEMBL31289650 | 0.55 | — | — | |
| Hydrogen Sulfide SCHEMBL31289651 | 0.55 | — | — | |
| SCHEMBL408234 | 0.50 | — | — | |
| Fluoromethane SCHEMBL1332103 | 0.47 | — | — | |
| Fluoromethane SCHEMBL9526 | 0.47 | — | — | |
| Fluoromethane SCHEMBL18662867 | 0.47 | — | — |
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-9302990-B2 | Fluorination of aromatic ring systems | NUTECH VENTURES (US) | 2016-04-05 | — | — | US | disclosed |
| US-20120004417-A1 | FLUORINATION OF AROMATIC RING SYSTEMS | NATIONAL SCIENCE FOUNDATION | 2012-01-05 | — | — | US | disclosed |
| US-20110313170-A1 | Fluorination of Aromatic Ring Systems | BOARD OF REGENTS OF THE UNIVERSITY OF NEBRASKA | 2011-12-22 | — | — | US | disclosed |