⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL612988 | 0.69 | DAO (0.30) | — | |
| SCHEMBL8501155 | 0.69 | DAO (0.30) | — | |
| SCHEMBL9248536 | 0.69 | DAO (0.30) | — | |
| SCHEMBL11287351 | 0.64 | — | — | |
| SCHEMBL6944629 | 0.62 | DAO (0.39) | — | |
| SCHEMBL6099140 | 0.60 | — | — | |
| Trifluoromethanesulfonic Acid SCHEMBL3921811 | 0.59 | PTGS2 (0.31) | — | |
| SCHEMBL8009432 | 0.58 | — | — | |
| SCHEMBL17839935 | 0.58 | — | — | |
| SCHEMBL15656849 | 0.54 | — | — |
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-5446134-A | Reacting bis(fluorosulfonyl)methane salt with cyanogen halide or pseudohalide | CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) | 1995-08-29 | — | — | US | claimed |
| US-5446134-A | Reacting bis(fluorosulfonyl)methane salt with cyanogen halide or pseudohalide | CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) | 1995-08-29 | — | — | US | disclosed |