⚠ 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 SCHEMBL29506831 | 0.83 | GPR3 (0.32) | — | |
| Trifluoromethanesulfonic Acid SCHEMBL31258263 | 0.81 | GPR3 (0.35) | — | |
| Trifluoromethanesulfonic Acid SCHEMBL15821415 | 0.81 | GPR3 (0.35) | — | |
| Trifluoromethanesulfonic Acid SCHEMBL5274319 | 0.81 | GPR3 (0.35) | — | |
| Trifluoromethanesulfonic Acid SCHEMBL3475928 | 0.81 | GPR3 (0.35) | — | |
| Trifluoromethanesulfonic Acid SCHEMBL10891376 | 0.80 | GPR3 (0.31) | — | |
| SCHEMBL10891289 | 0.79 | LSS (0.39) | — | |
| Perchlorate SCHEMBL10889571 | 0.75 | — | — | |
| Trifluoromethanesulfonic Acid SCHEMBL1451404 | 0.75 | — | — | |
| Trifluoromethanesulfonic Acid SCHEMBL10892410 | 0.74 | ALDH1A1 (0.49) | — |
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-4621150-A | METAL PERHALATE OR SULFONATE OR COMPLEX; GLYCIDATE, 2-HYDROXY-3-BUTENOATE, EPOXIDE | SAGAMI CHEMICAL RESEARCH CENTER (JP) | 1986-11-04 | — | — | US | disclosed |