⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10596674 | 0.97 | — | — | |
| SCHEMBL24304349 | 0.67 | — | — | |
| SCHEMBL2929477 | 0.67 | — | — | |
| SCHEMBL3078595 | 0.65 | — | — | |
| SCHEMBL29830667 | 0.65 | — | — | |
| SCHEMBL7774374 | 0.63 | — | — | |
| SCHEMBL7834099 | 0.63 | — | — | |
| SCHEMBL4775753 | 0.61 | — | — | |
| SCHEMBL9202836 | 0.61 | — | — | |
| SCHEMBL25434770 | 0.61 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-112400024-A | Device and system for gastrointestinal microbiome detection and treatment | 普罗根尼蒂公司 | 2021-02-23 | — | — | CN | disclosed |