⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11044982 | 0.78 | CA1 (0.31) | — | |
| SCHEMBL8201103 | 0.73 | — | — | |
| Benzene SCHEMBL6012075 | 0.69 | — | — | |
| SCHEMBL10797706 | 0.67 | — | — | |
| SCHEMBL9079795 | 0.65 | — | — | |
| SCHEMBL219138 | 0.60 | — | — | |
| SCHEMBL16454 | 0.57 | — | — | |
| SCHEMBL27457813 | 0.57 | ALDH1A1 (0.44) | — | |
| Ammonia Solution, Strong SCHEMBL28218758 | 0.57 | — | — | |
| SCHEMBL27827693 | 0.57 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-4211047-A | — | — | None | — | — | JP | disclosed |
| JP-H04211047-A | N-SULFENYL-N'-SULFONYL-UREA DERIVATIVE | BAYER AG | 1992-08-03 | — | — | JP | disclosed |
| EP-0443127-A1 | N-sulfenyl-N'-sulfonyl-urea derivatives | BAYER AG (DE) | 1991-08-28 | — | — | EP | disclosed |
| EP-0443127-A1 | N-sulfenyl-N'-sulfonyl-urea derivatives | BAYER AG (DE) | 1991-08-28 | — | — | EP | disclosed |