⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17928315 | 0.88 | TSHR (0.35) | — | |
| SCHEMBL3856801 | 0.84 | SMN1; SMN2 (0.30) | — | |
| SCHEMBL7606484 | 0.79 | TSHR (0.46) | — | |
| SCHEMBL7604408 | 0.79 | TSHR (0.46) | — | |
| SCHEMBL5987105 | 0.79 | TSHR (0.46) | — | |
| SCHEMBL12390072 | 0.76 | SMN1; SMN2 (0.36) | — | |
| SCHEMBL7924887 | 0.76 | TSHR (0.31) | — | |
| SCHEMBL1344999 | 0.76 | TSHR (0.32) | — | |
| SCHEMBL1344968 | 0.76 | TSHR (0.32) | — | |
| SCHEMBL915941 | 0.76 | TSHR (0.32) | — |
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 |