⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3780056 | 0.97 | — | — | |
| SCHEMBL29652 | 0.97 | — | — | |
| SCHEMBL28205172 | 0.97 | — | — | |
| Phosphine SCHEMBL27649276 | 0.93 | — | — | |
| Hydrochloric Acid SCHEMBL27544730 | 0.93 | — | — | |
| SCHEMBL31090285 | 0.93 | — | — | |
| Bromide SCHEMBL31675015 | 0.93 | — | — | |
| Arsenic SCHEMBL27546991 | 0.93 | — | — | |
| Hydrogen Peroxide SCHEMBL11389766 | 0.90 | — | — | |
| Azetidine SCHEMBL15156547 | 0.83 | — | — |
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-118653158-A | Synthesis and application of 4-oxo-oxazoline compound | 西北师范大学 | 2024-09-17 | — | — | CN | disclosed |