⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1039821 | 0.97 | — | — | |
| Formic Acid SCHEMBL30757855 | 0.84 | — | — | |
| SCHEMBL309666 | 0.74 | ALDH1A1 (0.33) | — | |
| SCHEMBL705523 | 0.73 | — | — | |
| SCHEMBL705295 | 0.73 | — | — | |
| SCHEMBL28373301 | 0.72 | — | — | |
| SCHEMBL3915472 | 0.72 | — | — | |
| SCHEMBL1263439 | 0.71 | MAPK1 (0.32) | — | |
| SCHEMBL4270855 | 0.71 | — | — | |
| SCHEMBL4077085 | 0.69 | — | — |
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-117377660-A | Process for the preparation of benzoxazepine oxazolidinone compounds | 基因泰克公司 | 2024-01-09 | — | — | CN | disclosed |