⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL129535 | 0.93 | — | — | |
| SCHEMBL4330924 | 0.93 | — | — | |
| Cyclohexane SCHEMBL5963547 | 0.76 | — | — | |
| SCHEMBL17522908 | 0.63 | — | — | |
| SCHEMBL863281 | 0.63 | — | — | |
| SCHEMBL140981 | 0.63 | — | — | |
| SCHEMBL8987212 | 0.62 | — | — | |
| Methane SCHEMBL10342009 | 0.60 | — | — | |
| Propyne SCHEMBL22749791 | 0.57 | — | — | |
| Propyne SCHEMBL29067164 | 0.57 | — | — |
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-109705052-A | A method of preparing 1,4- dihydro oxazines | 苏州大学 | 2019-05-03 | — | — | CN | disclosed |