⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29038537 | 0.81 | ALDH1A1 (0.33) | — | |
| SCHEMBL6690566 | 0.80 | PTPN1 (0.33) | — | |
| SCHEMBL28237108 | 0.79 | SIRT1 (0.33) | — | |
| SCHEMBL6690570 | 0.75 | — | — | |
| SCHEMBL4380669 | 0.75 | ALDH1A1 (0.34) | — | |
| SCHEMBL96057 | 0.74 | CYP1A2 (0.31) | — | |
| SCHEMBL11786175 | 0.73 | ALDH1A1 (0.31) | — | |
| SCHEMBL94558 | 0.73 | CYP1A2 (0.39) | — | |
| SCHEMBL4808029 | 0.73 | ALDH1A1 (0.31) | — | |
| SCHEMBL11649578 | 0.72 | SIRT1 (0.40) | — |
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-108349049-A | Soldering paste water-soluble flux and soldering paste | 三菱综合材料株式会社 | 2018-07-31 | — | — | CN | disclosed |