⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2359782 | 0.87 | — | — | |
| SCHEMBL333063 | 0.87 | — | — | |
| SCHEMBL333064 | 0.87 | — | — | |
| SCHEMBL9497369 | 0.79 | TSHR (0.30) | — | |
| SCHEMBL333329 | 0.70 | THRB (0.31) | — | |
| SCHEMBL333328 | 0.70 | THRB (0.31) | — | |
| SCHEMBL2359825 | 0.70 | THRB (0.31) | — | |
| SCHEMBL1491989 | 0.69 | THRB (0.40) | — | |
| SCHEMBL3629150 | 0.68 | TSHR (0.40) | — | |
| SCHEMBL10487121 | 0.67 | — | — |
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-5103049-A | PROCESS FOR PREPARING PERFLUOROALKENYL-SULFONYL FLUORIDES | AUSIMONT S.R.L. (IT) | 1992-04-07 | — | — | US | disclosed |