⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11702390 | 1.00 | — | — | |
| Bromide SCHEMBL30250885 | 0.98 | NOS3 (0.45) | — | |
| SCHEMBL30375397 | 0.89 | NOS3 (0.38) | — | |
| SCHEMBL5729113 | 0.83 | NOS3 (0.43) | — | |
| SCHEMBL5024689 | 0.80 | NOS3 (0.45) | — | |
| SCHEMBL91425 | 0.79 | — | — | |
| SCHEMBL28822555 | 0.79 | — | — | |
| SCHEMBL243610 | 0.77 | — | — | |
| SCHEMBL661300 | 0.77 | — | — | |
| SCHEMBL317235 | 0.77 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-114206893-A | (hetero) aryl-methyl-thio-beta-D-galactopyranoside derivatives | 爱杜西亚药品有限公司 | 2022-03-18 | — | — | CN | disclosed |