⚠ 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 | |
|---|---|---|---|---|
| Bromide SCHEMBL7638163 | 0.87 | CA1 (0.41) | — | |
| SCHEMBL565381 | 0.85 | USP2 (0.43) | — | |
| SCHEMBL5475262 | 0.84 | — | — | |
| SCHEMBL5471922 | 0.82 | CA1 (0.58) | — | |
| SCHEMBL5717944 | 0.80 | CA1 (0.59) | — | |
| SCHEMBL5464695 | 0.80 | CA1 (0.59) | — | |
| SCHEMBL5480655 | 0.80 | CA1 (0.59) | — | |
| SCHEMBL5474307 | 0.80 | CA1 (0.59) | — | |
| SCHEMBL5461800 | 0.80 | CA1 (0.59) | — | |
| SCHEMBL563993 | 0.80 | TSHR (0.60) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-106573896-B | Fluoroalkylating agents | KUMIAI CHEMICAL INDUSTRY CO.,LTD. (JP) | 2019-11-01 | — | — | CN | disclosed |
| CN-106573896-A | Fluoroalkylating agents | 庵原化学工业株式会社 | 2017-04-19 | — | — | CN | disclosed |
| US-20070148721-A1 | Compositions, methods, systems, and kits for affinity purification | AGILENT TECHNOLOGIES, INC. (US) | 2007-06-28 | — | — | US | disclosed |
| WO-2006026416-A1 | COMPOSITIONS, METHODS, SYSTEMS, AND KITS FOR AFFINITY PURIFICATION | AGILENT TECHNOLOGIES, INC. (US) | 2006-03-09 | — | — | WO | disclosed |