⚠ 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 | 0.92 | — | — | |
| SCHEMBL22239801 | 0.80 | — | — | |
| SCHEMBL22240332 | 0.79 | CNR2 (0.31) | — | |
| SCHEMBL22239993 | 0.78 | KDM4E (0.35) | — | |
| SCHEMBL22240215 | 0.77 | NOS2 (0.32) | — | |
| SCHEMBL22240073 | 0.77 | HTT (0.34) | — | |
| SCHEMBL22240057 | 0.76 | MEN1 (0.34) | — | |
| SCHEMBL22240059 | 0.76 | AXL (0.31) | — | |
| SCHEMBL22240267 | 0.75 | MEN1 (0.34) | — | |
| SCHEMBL22240288 | 0.74 | PHGDH (0.37) | — |
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 |