⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL80285 | 0.97 | — | — | |
| SCHEMBL20184358 | 0.93 | — | — | |
| SCHEMBL23302895 | 0.93 | — | — | |
| SCHEMBL7201131 | 0.93 | — | — | |
| SCHEMBL625058 | 0.93 | — | — | |
| SCHEMBL28588888 | 0.90 | ALDH1A1 (0.88) | — | |
| Formaldehyde SCHEMBL11521839 | 0.90 | — | — | |
| Monoethanolamine SCHEMBL28875803 | 0.88 | ALDH1A1 (0.82) | — | |
| Oxalic Acid SCHEMBL4100193 | 0.85 | ALDH1A1 (0.78) | — | |
| Ethylenediamine SCHEMBL2852681 | 0.83 | ALDH1A1 (0.75) | — |
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-109363158-A | liquid dietary supplement formulation composition | 曼普雷特·S·沃德瓦 | 2019-02-22 | — | — | CN | disclosed |