⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2759419 | 0.83 | — | — | |
| SCHEMBL244859 | 0.81 | — | — | |
| Trifluoroethanol SCHEMBL3658819 | 0.73 | CYP1A2 (0.30) | — | |
| Sulfurous Acid SCHEMBL7689673 | 0.72 | CA1 (0.43) | — | |
| Sulfurous Acid SCHEMBL6057036 | 0.72 | CA1 (0.43) | — | |
| SCHEMBL246472 | 0.72 | — | — | |
| SCHEMBL1261551 | 0.71 | CHRM2 (0.31) | — | |
| SCHEMBL19320626 | 0.71 | — | — | |
| SCHEMBL28190503 | 0.70 | CHRM2 (0.32) | — | |
| SCHEMBL27822896 | 0.69 | — | — |
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-9024058-B2 | Ammonium fluoroalkanesulfonates and a synthesis method therefor | CENTRAL GLASS COMPANY, LIMITED (JP) | 2015-05-05 | — | — | US | disclosed |
| US-20120004447-A1 | Ammonium Fluoroalkanesulfonates and a Synthesis Method Therefor | CENTRAL GLASS COMPANY, LIMITED (JP) | 2012-01-05 | — | — | US | disclosed |