⚠ 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 SCHEMBL63904 | 0.88 | CA1 (0.30) | — | |
| SCHEMBL2425149 | 0.83 | — | — | |
| SCHEMBL7708623 | 0.82 | — | — | |
| SCHEMBL6817556 | 0.82 | — | — | |
| SCHEMBL758779 | 0.81 | CA1 (0.35) | — | |
| Trifluoromethanesulfonic Acid SCHEMBL5417083 | 0.74 | — | — | |
| Trifluoromethanesulfonic Acid SCHEMBL4165039 | 0.73 | — | — | |
| SCHEMBL4179254 | 0.69 | — | — | |
| Trifluoromethanesulfonic Acid SCHEMBL6140981 | 0.69 | CA1 (0.37) | — | |
| SCHEMBL1624383 | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6358665-B1 | ONIUM SALT PRECURSOR FOR GENERATING FLUOROALKYLSULFONATE | CLARIANT INTERNATIONAL LTD. (CH) | 2002-03-19 | — | — | US | disclosed |
| EP-1033624-A1 | RADIATION-SENSITIVE COMPOSITION OF CHEMICAL AMPLIFICATION TYPE | Clariant International Ltd. (CH) | 2000-09-06 | — | — | EP | disclosed |