⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8720547 | 0.80 | TSHR (0.32) | — | |
| Trifluoromethanesulfonic Acid SCHEMBL63721 | 0.76 | GPR3 (0.43) | — | |
| SCHEMBL6941430 | 0.67 | — | — | |
| SCHEMBL63583 | 0.66 | — | — | |
| SCHEMBL26108213 | 0.64 | ACHE (0.30) | — | |
| SCHEMBL17286403 | 0.63 | — | — | |
| SCHEMBL14964902 | 0.60 | TSHR (0.32) | — | |
| SCHEMBL6913139 | 0.55 | PGR (0.52) | — | |
| SCHEMBL8718055 | 0.54 | PGR (0.50) | — | |
| SCHEMBL3926679 | 0.54 | PKM (0.48) | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0646979-B1 | MATERIAL FOR GENERATING ELECTRIC ENERGY | DAIKIN IND LTD (JP) | 1998-11-11 | — | — | EP | disclosed |
| US-5573868-A | ELECTROCHEMICAL REACTION BETWEEN A COMPOUND HAVING A N-F BOND AND ELECTRON DONOR | DAIKIN INDUSTRIES, LTD. (JP) | 1996-11-12 | — | — | US | disclosed |
| EP-0393462-B1 | 2-halopyridine-6-sulfonic acid and its salt | ONODA CEMENT CO LTD (JP) | 1995-07-05 | — | — | EP | disclosed |
| EP-0646979-A1 | MATERIAL FOR GENERATING ELECTRIC ENERGY | DAIKIN INDUSTRIES, LTD. (JP) | 1995-04-05 | — | — | EP | disclosed |
| US-5081249-A | From gaseous fluorine and solution of pyridinesulfonate | SAGAMI CHEMICAL RESEARCH CENTER (JP) | 1992-01-14 | — | — | US | disclosed |
| US-4973697-A | 2-halopyridine-6-sulfonic acid and its salt | ONODA CEMENT CO., LTD. (JP) | 1990-11-27 | — | — | US | disclosed |
| EP-0393462-A2 | 2-halopyridine-6-sulfonic acid and its salt | ONODA CEMENT COMPANY, LTD. (JP) | 1990-10-24 | — | — | EP | disclosed |