⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28073190 | 0.77 | — | — | |
| SCHEMBL27531382 | 0.74 | — | — | |
| SCHEMBL28027909 | 0.71 | — | — | |
| Bicarbonate SCHEMBL27449725 | 0.69 | ADORA3 (0.32) | — | |
| SCHEMBL3182781 | 0.68 | ALDH1A1 (0.34) | — | |
| SCHEMBL17221864 | 0.65 | — | — | |
| SCHEMBL27499002 | 0.62 | — | — | |
| SCHEMBL27497533 | 0.61 | — | — | |
| SCHEMBL7370607 | 0.58 | — | — | |
| SCHEMBL11095693 | 0.56 | — | — |
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-105143222-B | Glycosidase inhibitor | 默克专利有限公司 | 2018-02-02 | — | — | CN | disclosed |
| CN-1735408-A | Receptor function controlling agent | TAKEDA CHEMICAL INDUSTRIES LTD (JP) | 2006-02-15 | — | — | CN | disclosed |