⚠ 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 | |
|---|---|---|---|---|
| Valine SCHEMBL9294580 | 0.75 | SLC7A5 (0.75) | — | |
| Valine SCHEMBL18051147 | 0.75 | SLC7A5 (0.75) | — | |
| Valine SCHEMBL9066603 | 0.75 | SLC7A5 (0.75) | — | |
| Valine SCHEMBL23149812 | 0.75 | SLC7A5 (0.75) | — | |
| Valine SCHEMBL6295413 | 0.75 | SLC7A5 (0.75) | — | |
| SCHEMBL23139347 | 0.75 | — | — | |
| Valine SCHEMBL28422139 | 0.75 | SLC7A5 (0.75) | — | |
| SCHEMBL16587596 | 0.75 | — | — | |
| SCHEMBL5801268 | 0.74 | SLC7A5 (0.43) | — | |
| SCHEMBL3924462 | 0.74 | — | — |
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-20100240623-A1 | 8-OXOADENINE DERIVATIVES ACTING AS MODULATORS OF TLR7 | ASTRAZENECA AB (SE) | 2010-09-23 | — | — | US | disclosed |