⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12544850 | 0.81 | CA1 (0.35) | — | |
| SCHEMBL23522660 | 0.78 | CA1 (0.33) | — | |
| SCHEMBL126781 | 0.74 | — | — | |
| Flurothyl SCHEMBL120937 | 0.73 | CA1 (0.38) | — | |
| SCHEMBL10015674 | 0.73 | — | — | |
| SCHEMBL6433951 | 0.71 | — | — | |
| SCHEMBL12544267 | 0.71 | — | — | |
| SCHEMBL23566764 | 0.71 | — | — | |
| Flurothyl SCHEMBL28512508 | 0.70 | CA1 (0.36) | — | |
| SCHEMBL38516 | 0.69 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023210623-A1 | HALOALKYL SULFONE ANILIDE COMPOUND AND HERBICIDE CONTAINING SAME | 株式会社エス・ディー・エス バイオテック | 2023-11-02 | — | — | WO | disclosed |