⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12967348 | 0.74 | — | — | |
| SCHEMBL12967049 | 0.74 | — | — | |
| SCHEMBL14293628 | 0.74 | — | — | |
| SCHEMBL13147736 | 0.74 | — | — | |
| SCHEMBL19634147 | 0.74 | — | — | |
| SCHEMBL29666468 | 0.74 | — | — | |
| SCHEMBL22996723 | 0.72 | IDH1 (0.30) | — | |
| SCHEMBL17776952 | 0.72 | — | — | |
| SCHEMBL12072052 | 0.72 | IDH1 (0.30) | — | |
| SCHEMBL22032158 | 0.72 | IDH1 (0.30) | — |
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-20170362234-A1 | SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS | GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) | 2017-12-21 | — | — | US | disclosed |