⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL700537 | 0.81 | NFE2L2 (1.00) | — | |
| SCHEMBL700536 | 0.81 | NFE2L2 (1.00) | — | |
| SCHEMBL31317689 | 0.81 | NFE2L2 (1.00) | — | |
| SCHEMBL3300301 | 0.81 | NFE2L2 (0.71) | — | |
| SCHEMBL27383008 | 0.80 | NFE2L2 (0.77) | — | |
| SCHEMBL28470848 | 0.78 | NFE2L2 (0.60) | — | |
| SCHEMBL8115386 | 0.77 | — | — | |
| SCHEMBL3645266 | 0.77 | — | — | |
| SCHEMBL1861592 | 0.77 | — | — | |
| SCHEMBL29359478 | 0.77 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106132926-A | Method for producing tribenzyloxycarbonyl arginine | 株式会社钟化 | 2016-11-16 | — | — | CN | disclosed |
| CN-103201267-B | AMPK-activating heterocyclic compounds and methods of use thereof | 里格尔药品股份有限公司 | 2016-08-17 | — | — | CN | disclosed |