⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28564718 | 0.86 | FFAR3 (0.34) | — | |
| SCHEMBL50796 | 0.85 | — | — | |
| SCHEMBL6053611 | 0.82 | — | — | |
| Propionic Acid SCHEMBL7105055 | 0.80 | CA2 (0.37) | — | |
| SCHEMBL1360578 | 0.80 | — | — | |
| SCHEMBL15518900 | 0.80 | CYP3A4 (0.39) | — | |
| SCHEMBL16909324 | 0.80 | CYP3A4 (0.39) | — | |
| SCHEMBL22557967 | 0.79 | CA2 (0.44) | — | |
| SCHEMBL28553349 | 0.76 | CA2 (0.31) | — | |
| Acetic Acid SCHEMBL29545922 | 0.76 | CA2 (0.41) | — |
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-112088182-A | Structural two-component adhesive | 汉高股份有限及两合公司 | 2020-12-15 | — | — | CN | disclosed |