⚠ 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 | |
|---|---|---|---|---|
| Trifluoromethanesulfonic Acid SCHEMBL65052 | 0.84 | GPR3 (0.39) | — | |
| Trifluoromethanesulfonic Acid SCHEMBL31114401 | 0.84 | GPR3 (0.39) | — | |
| SCHEMBL9174215 | 0.78 | NPSR1 (0.35) | — | |
| Trifluoromethanesulfonic Acid SCHEMBL8469662 | 0.74 | KCNH2 (0.35) | — | |
| SCHEMBL4602878 | 0.71 | BCHE (0.30) | — | |
| SCHEMBL65488 | 0.71 | — | — | |
| Trifluoromethanesulfonic Acid SCHEMBL28565076 | 0.70 | ALDH1A1 (0.37) | — | |
| Lithium Ion SCHEMBL6419303 | 0.68 | — | — | |
| SCHEMBL30991691 | 0.68 | — | — | |
| Silver SCHEMBL11873007 | 0.68 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| 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-0646979-A1 | MATERIAL FOR GENERATING ELECTRIC ENERGY | DAIKIN INDUSTRIES, LTD. (JP) | 1995-04-05 | — | — | EP | disclosed |