⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7877829 | 0.81 | — | — | |
| Malonic Acid SCHEMBL1330716 | 0.74 | — | — | |
| SCHEMBL17014926 | 0.74 | — | — | |
| SCHEMBL23270889 | 0.72 | — | — | |
| SCHEMBL18593119 | 0.70 | TSHR (0.43) | — | |
| Dimethyl Succinate SCHEMBL31517013 | 0.69 | TSHR (0.56) | — | |
| Malonic Acid SCHEMBL30876995 | 0.69 | — | — | |
| SCHEMBL13430572 | 0.67 | — | — | |
| SCHEMBL2600114 | 0.67 | — | — | |
| SCHEMBL13916168 | 0.67 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114935619-A | Method and kit for detecting water-soluble vitamins | 苏州帕诺米克生物科技有限公司 | 2022-08-23 | — | — | CN | disclosed |
| US-8067242-B2 | Method for methylmalonic acid detemination based on alkylative extraction associated to liquid chromatography coupled to mass spectrometry | MELECHCO CARVALHO VALDEMIR (BR) | 2011-11-29 | — | — | US | disclosed |
| US-20100304492-A1 | Method for methylmalonic acid detemination based on alkylative extraction associated to liquid chromatography coupled to mass spectrometry | INSTITUTO FLEURY (BR) | 2010-12-02 | — | — | US | disclosed |