⚠ 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 | |
|---|---|---|---|---|
| Malonic Acid SCHEMBL1330716 | 0.93 | — | — | |
| Malonic Acid SCHEMBL7886847 | 0.86 | — | — | |
| Succinic Acid SCHEMBL1331059 | 0.72 | — | — | |
| Glycolic Acid SCHEMBL12092434 | 0.70 | — | — | |
| SCHEMBL1363500 | 0.69 | — | — | |
| Malonic Acid SCHEMBL30481746 | 0.69 | — | — | |
| Succinic Acid SCHEMBL29437132 | 0.69 | — | — | |
| Chloroacetic Acid SCHEMBL1332038 | 0.67 | — | — | |
| Bromoacetic Acid SCHEMBL1331191 | 0.67 | — | — | |
| SCHEMBL12396668 | 0.65 | — | — |
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-117723669-A | Method for measuring vitamin B compound in human excrement by high performance liquid chromatography-tandem mass spectrometry | 南京品生医学检验实验室有限公司 | 2024-03-19 | — | — | CN | claimed |
| CN-117723669-A | Method for measuring vitamin B compound in human excrement by high performance liquid chromatography-tandem mass spectrometry | 南京品生医学检验实验室有限公司 | 2024-03-19 | — | — | CN | disclosed |