⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL790193 | 0.80 | — | — | |
| SCHEMBL4596390 | 0.78 | GLO1 (0.39) | — | |
| SCHEMBL12088001 | 0.78 | THRB (0.46) | — | |
| SCHEMBL3064653 | 0.77 | — | — | |
| Ethyl Pyruvate SCHEMBL1331224 | 0.75 | — | — | |
| Ethyl Pyruvate SCHEMBL25538 | 0.75 | — | — | |
| SCHEMBL6231442 | 0.75 | — | — | |
| SCHEMBL350921 | 0.73 | — | — | |
| Ethyl Pyruvate SCHEMBL30913010 | 0.73 | — | — | |
| SCHEMBL4567264 | 0.73 | TSHR (0.52) | — |
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-109640967-B | Method for inhibiting conversion of choline to Trimethylamine (TMA) | 宝洁公司 | 2022-04-29 | — | — | CN | disclosed |