⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10808421 | 0.74 | — | — | |
| SCHEMBL11883794 | 0.74 | — | — | |
| SCHEMBL15187684 | 0.74 | — | — | |
| SCHEMBL20289098 | 0.70 | — | — | |
| SCHEMBL9025954 | 0.70 | — | — | |
| SCHEMBL9755019 | 0.69 | SLC6A2 (0.46) | — | |
| SCHEMBL11351626 | 0.67 | — | — | |
| SCHEMBL10346011 | 0.66 | — | — | |
| SCHEMBL11122372 | 0.64 | — | — | |
| SCHEMBL10346015 | 0.64 | SLC6A2 (0.31) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-4197110-A | HALOMETHYL-3-ACETYL OXAZINE OR OXAZOLIDINE | PRODUITS CHIMIQUES UGINE KUHLMANN (FR) | 1980-04-08 | — | — | US | disclosed |