⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5471921 | 0.92 | TRPA1 (0.50) | — | |
| SCHEMBL5461797 | 0.90 | CA2 (0.48) | — | |
| SCHEMBL5464692 | 0.90 | CA2 (0.48) | — | |
| SCHEMBL5474306 | 0.90 | CA2 (0.48) | — | |
| SCHEMBL5717938 | 0.90 | CA2 (0.48) | — | |
| SCHEMBL5480651 | 0.90 | CA2 (0.48) | — | |
| SCHEMBL11029344 | 0.82 | TRPA1 (0.57) | — | |
| SCHEMBL1709048 | 0.82 | — | — | |
| SCHEMBL11604930 | 0.82 | TRPA1 (0.57) | — | |
| SCHEMBL14651687 | 0.78 | TRPA1 (0.67) | — |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3162799-B1 | FLUOROALKYLATING AGENT | KUMIAI CHEMICAL INDUSTRY CO (JP) | 2021-03-10 | — | — | EP | disclosed |
| US-10696640-B2 | Fluoroalkylating agent | KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) | 2020-06-30 | — | — | US | disclosed |
| US-20190233380-A1 | FLUOROALKYLATING AGENT | KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) | 2019-08-01 | — | — | US | disclosed |
| US-10308613-B2 | Fluoroalkylating agent | KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) | 2019-06-04 | — | — | US | disclosed |
| US-20170197920-A1 | FLUOROALKYLATING AGENT | IHARA CHEMICAL INDUSTRY CO., LTD. (JP) | 2017-07-13 | — | — | US | disclosed |
| US-20170174651-A1 | Method of Priming Plants Against Abiotic Stress Factors | CYPRUS UNIVERSITY OF TECHNOLOGY (CY) | 2017-06-22 | — | — | US | disclosed |
| EP-3162799-A1 | FLUOROALKYLATING AGENT | Ihara Chemical Industry Co., Ltd. (JP) | 2017-05-03 | — | — | EP | 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 |