⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17624540 | 0.92 | HRH4 (0.31) | — | |
| SCHEMBL19669078 | 0.91 | KIF18A (0.32) | — | |
| SCHEMBL19670343 | 0.89 | EGFR (0.31) | — | |
| SCHEMBL17624581 | 0.89 | RAF1 (0.32) | — | |
| SCHEMBL19670346 | 0.88 | — | — | |
| SCHEMBL17624587 | 0.86 | FGFR4 (0.32) | — | |
| SCHEMBL17624533 | 0.83 | JAK2 (0.33) | — | |
| SCHEMBL17618898 | 0.83 | KIF18A (0.32) | — | |
| SCHEMBL16785661 | 0.82 | — | — | |
| SCHEMBL19670439 | 0.81 | HRH4 (0.31) | — |
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-9834558-B2 | Substituted bridged urea analogs as sirtuin modulators | GLAXOSMITHKLINE LLC (US) | 2017-12-05 | — | — | US | disclosed |