⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL685868 | 0.97 | — | — | |
| SCHEMBL14994322 | 0.95 | — | — | |
| SCHEMBL16630298 | 0.67 | — | — | |
| SCHEMBL8911113 | 0.65 | — | — | |
| SCHEMBL6123592 | 0.65 | NOTUM (0.47) | — | |
| SCHEMBL2481971 | 0.65 | — | — | |
| SCHEMBL19264224 | 0.65 | — | — | |
| SCHEMBL2898202 | 0.63 | NOTUM (1.00) | — | |
| SCHEMBL16171878 | 0.63 | SORT1 (0.41) | — | |
| SCHEMBL14571746 | 0.62 | — | — |
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-114149381-A | Preparation method of 2, 3-dihydro-5-methyl-2-oxo-1, 3, 4-oxadiazole-3-acetone | 欧阳瑞知 | 2022-03-08 | — | — | CN | disclosed |