⚠ 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 | |
|---|---|---|---|---|
| Fluoride SCHEMBL28184212 | 0.86 | — | — | |
| Ammonia Solution, Strong SCHEMBL8425786 | 0.86 | — | — | |
| Fluoride SCHEMBL28286796 | 0.86 | — | — | |
| SCHEMBL25237674 | 0.86 | — | — | |
| Hydrochloric Acid SCHEMBL27903023 | 0.86 | — | — | |
| SCHEMBL23244632 | 0.86 | — | — | |
| SCHEMBL27826407 | 0.86 | — | — | |
| Methane SCHEMBL16008272 | 0.86 | — | — | |
| Iodide SCHEMBL28263957 | 0.86 | — | — | |
| SCHEMBL28000909 | 0.86 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-104610255-B | Method for synthesizing [1,2-a] imidazopyridine derivative containing isoxazole skeleton | 常州工程职业技术学院 | 2017-01-18 | — | — | CN | claimed |
| CN-104610255-B | Method for synthesizing [1,2-a] imidazopyridine derivative containing isoxazole skeleton | 常州工程职业技术学院 | 2017-01-18 | — | — | CN | disclosed |