⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19361189 | 0.75 | SIRT5 (0.31) | — | |
| SCHEMBL16602269 | 0.66 | KDM4C (0.32) | — | |
| SCHEMBL10110874 | 0.66 | KDM4C (0.31) | — | |
| SCHEMBL14367912 | 0.66 | KDM4C (0.34) | — | |
| SCHEMBL14392241 | 0.65 | KDM4E (0.36) | — | |
| SCHEMBL19670382 | 0.63 | NPY5R (0.42) | — | |
| SCHEMBL19365753 | 0.62 | CA12 (0.41) | — | |
| SCHEMBL10110877 | 0.62 | PTPN1 (0.31) | — | |
| SCHEMBL19365557 | 0.61 | MGLL (0.40) | — | |
| SCHEMBL19365722 | 0.61 | POLB (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 |
|---|---|---|---|---|---|---|---|
| US-9765075-B2 | Substituted bridged urea analogs as sirtuin modulators | GLAXOSMITHKLINE LLC (US) | 2017-09-19 | — | — | US | disclosed |