⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8228926 | 0.84 | — | — | |
| SCHEMBL13295400 | 0.80 | — | — | |
| SCHEMBL916237 | 0.79 | GNAI3 (0.50) | — | |
| Hydrochloric Acid SCHEMBL2826668 | 0.77 | GNAI3 (0.53) | — | |
| SCHEMBL598694 | 0.75 | GNAI3 (0.57) | — | |
| SCHEMBL8518241 | 0.74 | — | — | |
| SCHEMBL1569807 | 0.74 | — | — | |
| SCHEMBL1259723 | 0.74 | — | — | |
| SCHEMBL6943841 | 0.74 | GNAI3 (0.60) | — | |
| SCHEMBL14067220 | 0.72 | LTA4H (0.37) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2023064164-A1 | CHIMERIC COMPOUNDS USEFUL IN TREATING DISEASES | PADARN THERAPEUTICS, INC. (US) | 2023-04-20 | — | — | WO | disclosed |
| CN-108137574-A | HYDROXYALKYL THIADIAZOLE DERIVATIVES | 第三共株式会社 | 2018-06-08 | — | — | CN | disclosed |