⚠ 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 SCHEMBL7637456 | 0.96 | ALDH1A1 (0.45) | — | |
| Trifluoromethanesulfonic Acid SCHEMBL39465 | 0.96 | ALDH1A1 (0.50) | — | |
| Trifluoromethanesulfonic Acid SCHEMBL295 | 0.96 | — | — | |
| Trifluoromethanesulfonic Acid SCHEMBL3950101 | 0.96 | — | — | |
| Trifluoromethanesulfonic Acid SCHEMBL3507077 | 0.96 | — | — | |
| Trifluoromethanesulfonic Acid SCHEMBL25293988 | 0.92 | ALDH1A1 (0.47) | — | |
| Trifluoromethanesulfonic Acid SCHEMBL25292879 | 0.92 | — | — | |
| Trifluoromethanesulfonic Acid SCHEMBL25292545 | 0.92 | — | — | |
| Trifluoromethanesulfonic Acid SCHEMBL2484799 | 0.92 | ALDH1A1 (0.47) | — | |
| Trifluoromethanesulfonic Acid SCHEMBL25287607 | 0.92 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6362375-B1 | RARE EARTH TRIFLUOROMETHYLSULFONE FRIEDAL-CRAFTS CATALYZED REACTION BETWEEN A CARBOXYLIC ACID AMD AN AROMATIC COMPOUND | COLLEGE OF THE HOLY CROSS | 2002-03-26 | — | — | US | disclosed |