⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22239941 | 0.88 | — | — | |
| SCHEMBL22240288 | 0.82 | PHGDH (0.37) | — | |
| SCHEMBL22239896 | 0.80 | — | — | |
| SCHEMBL22239757 | 0.79 | MEN1 (0.35) | — | |
| SCHEMBL19736507 | 0.75 | CNR2 (0.37) | — | |
| SCHEMBL17777126 | 0.73 | MAPK14 (0.33) | — | |
| SCHEMBL19714086 | 0.73 | MAPK14 (0.33) | — | |
| SCHEMBL19714087 | 0.73 | MAPK14 (0.33) | — | |
| SCHEMBL19714043 | 0.73 | MAPK14 (0.33) | — | |
| SCHEMBL22239936 | 0.72 | MEN1 (0.36) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3221317-B1 | SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS | GLAXOSMITHKLINE IP NO 2 LTD (GB) | 2020-07-22 | — | — | EP | disclosed |