⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2876981 | 0.97 | — | — | |
| SCHEMBL27875476 | 0.94 | — | — | |
| Hydrochloric Acid SCHEMBL28125472 | 0.94 | — | — | |
| Iodide SCHEMBL28791586 | 0.94 | — | — | |
| Fluoride SCHEMBL27657790 | 0.79 | HDAC1 (0.39) | — | |
| SCHEMBL954048 | 0.76 | — | — | |
| SCHEMBL27778684 | 0.74 | — | — | |
| SCHEMBL25232543 | 0.74 | HDAC1 (0.39) | — | |
| SCHEMBL15467104 | 0.74 | HDAC1 (0.39) | — | |
| Iodide SCHEMBL7708123 | 0.74 | HDAC1 (0.39) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-102105444-B | Process for producing perfluoroalkyl sulfinate | CENTRAL GLASS CO LTD | 2013-08-07 | — | — | CN | disclosed |
| CN-102105444-A | Process for producing perfluoroalkyl sulfinate | CENTRAL GLASS CO LTD | 2011-06-22 | — | — | CN | disclosed |