⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4758659 | 0.74 | — | — | |
| SCHEMBL27383827 | 0.67 | — | — | |
| SCHEMBL17928315 | 0.66 | TSHR (0.35) | — | |
| SCHEMBL27520966 | 0.64 | ATM (0.34) | — | |
| SCHEMBL27622754 | 0.64 | ATM (0.34) | — | |
| SCHEMBL5088047 | 0.63 | HCAR2 (0.31) | — | |
| SCHEMBL27862300 | 0.63 | CHRM1 (0.41) | — | |
| SCHEMBL3109501 | 0.63 | MME (0.44) | — | |
| SCHEMBL12390072 | 0.60 | SMN1; SMN2 (0.36) | — | |
| SCHEMBL15479189 | 0.60 | MMP1 (0.41) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2008013860-A2 | ACYLOXYALKYL CARBAMATE PRODRUGS OF ALPHA-AMINO ACIDS, METHODS OF SYNTHESIS AND USE | XENOPORT, INC. (US) | 2008-01-31 | — | — | WO | claimed |