⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2728136 | 0.78 | — | — | |
| SCHEMBL693912 | 0.49 | — | — | |
| SCHEMBL6206936 | 0.49 | — | — | |
| SCHEMBL2728134 | 0.48 | — | — | |
| SCHEMBL17303466 | 0.48 | — | — | |
| SCHEMBL692808 | 0.47 | — | — | |
| SCHEMBL7132351 | 0.42 | L3MBTL1 (0.46) | — | |
| SCHEMBL651902 | 0.42 | ALDH1A1 (0.71) | — | |
| SCHEMBL218559 | 0.42 | ALDH1A1 (0.53) | — | |
| SCHEMBL31397047 | 0.42 | TRPV4 (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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2023116774-A1 | COMPOUND CONTAINING BIS(AZANYLYLIDENE) SULFONYL STRUCTURE AND USE THEREOF IN MEDICINE | 赛诺哈勃药业（成都）有限公司 | 2023-06-29 | — | — | WO | disclosed |