⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12246456 | 0.89 | PAOX (0.47) | — | |
| SCHEMBL19273693 | 0.88 | — | — | |
| SCHEMBL22915903 | 0.88 | — | — | |
| SCHEMBL19073159 | 0.87 | GNAI3 (0.54) | — | |
| SCHEMBL4089169 | 0.85 | HRH3 (0.65) | — | |
| SCHEMBL10136417 | 0.81 | PAOX (0.50) | — | |
| SCHEMBL13733149 | 0.81 | CXCR4 (0.56) | — | |
| SCHEMBL11044396 | 0.81 | KEAP1 (0.67) | — | |
| SCHEMBL6486783 | 0.81 | SIGMAR1 (0.37) | — | |
| SCHEMBL25461051 | 0.81 | PIK3CD (0.44) | — |
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-4173580-A | Production of β-haloalkylaminosulfonyl halides | BASF AKTIENGESELLSCHAFT (DE) | 1979-11-06 | — | — | US | disclosed |
| US-4014931-A | FROM AZIRIDINE AND SULFURYL HALIDE | BASF AKTIENGESELLSCHAFT (DT) | 1977-03-29 | — | — | US | disclosed |