⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14839486 | 1.00 | — | — | |
| SCHEMBL31603619 | 0.79 | — | — | |
| SCHEMBL30894896 | 0.76 | — | — | |
| SCHEMBL3676543 | 0.74 | ARG1 (0.54) | — | |
| SCHEMBL32678049 | 0.67 | ARG1 (0.41) | — | |
| SCHEMBL26967124 | 0.64 | — | — | |
| SCHEMBL24471489 | 0.63 | — | — | |
| SCHEMBL30970944 | 0.61 | — | — | |
| Potassium SCHEMBL31405453 | 0.61 | FFAR3 (0.32) | — | |
| SCHEMBL252560 | 0.59 | CYP2C19 (0.44) | — |
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-113582333-B | Method for promoting start of anaerobic reactor based on conductive nano material | 南京大学 | 2022-06-21 | — | — | CN | disclosed |