⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28486052 | 1.00 | — | — | |
| SCHEMBL27602946 | 0.80 | — | — | |
| SCHEMBL27602947 | 0.80 | — | — | |
| SCHEMBL1114502 | 0.75 | ALDH1A1 (0.43) | — | |
| SCHEMBL1715036 | 0.74 | — | — | |
| Bromide SCHEMBL11871852 | 0.72 | — | — | |
| Hydrochloric Acid SCHEMBL9760071 | 0.72 | — | — | |
| SCHEMBL6235022 | 0.71 | — | — | |
| SCHEMBL6235031 | 0.71 | — | — | |
| SCHEMBL6934061 | 0.71 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-107382990-B | Compound with 1,2, 4-oxadiazole structural fragment and preparation method and application thereof | 济南大学 | 2020-08-04 | — | — | CN | claimed |
| CN-114621207-B | Compound serving as thyroid hormone beta receptor agonist and application thereof | 广东东阳光药业股份有限公司 | 2025-02-11 | — | — | CN | disclosed |
| CN-101657452-A | Hete rocyclic derivatives as the M3 muscarinic receptor | ARGENTA DISCOVERY LTD GB | 2010-02-24 | — | — | CN | disclosed |