⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1655759 | 0.86 | ALDH1A1 (0.33) | — | |
| SCHEMBL30184986 | 0.84 | ALDH1A1 (0.32) | — | |
| SCHEMBL1929858 | 0.84 | ALDH1A1 (0.32) | — | |
| SCHEMBL15702986 | 0.76 | EPHX1 (0.32) | — | |
| Trifluoromethanesulfonic Acid SCHEMBL610462 | 0.75 | NPSR1 (0.35) | — | |
| Trifluoromethanesulfonic Acid SCHEMBL27506904 | 0.75 | NPSR1 (0.35) | — | |
| SCHEMBL8432847 | 0.75 | CA2 (0.33) | — | |
| Ammonia Solution, Strong SCHEMBL18008823 | 0.74 | EPHX1 (0.31) | — | |
| SCHEMBL2759436 | 0.74 | ATR (0.32) | — | |
| SCHEMBL10262582 | 0.74 | TSHR (0.33) | — |
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 |