⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21474350 | 0.76 | KDM1A (0.31) | — | |
| SCHEMBL18435121 | 0.73 | — | — | |
| SCHEMBL19781322 | 0.73 | TRPV4 (0.45) | — | |
| SCHEMBL22853322 | 0.72 | GRM5 (0.43) | — | |
| SCHEMBL19681200 | 0.72 | ACACB (0.38) | — | |
| SCHEMBL19781239 | 0.69 | GABRA1 (0.31) | — | |
| SCHEMBL20673475 | 0.68 | KIF11 (0.44) | — | |
| SCHEMBL19781335 | 0.68 | FFAR1 (0.31) | — | |
| SCHEMBL22379876 | 0.65 | AR (0.36) | — | |
| SCHEMBL15458100 | 0.65 | DAO (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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-10889610-B2 | Alpha-D-galactoside inhibitors of galectins | GALECTO BIOTECH AB (DK) | 2021-01-12 | — | — | US | disclosed |
| US-20190315793-A1 | ALPHA-D-GALACTOSIDE INHIBITORS OF GALECTINS | GALECTO BIOTECH AB (DK) | 2019-10-17 | — | — | US | disclosed |
| WO-2018011094-A1 | ALPHA-D-GALACTOSIDE INHIBITORS OF GALECTINS | GALECTO BIOTECH AB (DK) | 2018-01-18 | — | — | WO | disclosed |