⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19781318 | 0.90 | — | — | |
| SCHEMBL22469640 | 0.80 | CCR1 (0.31) | — | |
| SCHEMBL21474353 | 0.79 | — | — | |
| SCHEMBL7526965 | 0.78 | LOX (0.31) | — | |
| SCHEMBL19781334 | 0.78 | RAPGEF4 (0.33) | — | |
| SCHEMBL24132797 | 0.76 | LOX (0.30) | — | |
| SCHEMBL19677742 | 0.76 | HDAC1 (0.31) | — | |
| SCHEMBL20929147 | 0.75 | LOX (0.32) | — | |
| SCHEMBL20929233 | 0.75 | ALDH1A1 (0.41) | — | |
| SCHEMBL19781323 | 0.75 | KDM1A (0.34) | — |
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-109563119-A | α-D- galactoside the inhibitor of galactose agglutinin | 格莱克特生物技术公司 | 2019-04-02 | — | — | CN | disclosed |
| WO-2018011094-A1 | ALPHA-D-GALACTOSIDE INHIBITORS OF GALECTINS | GALECTO BIOTECH AB (DK) | 2018-01-18 | — | — | WO | disclosed |