⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL131389 | 0.81 | ALDH1A1 (0.36) | — | |
| SCHEMBL13464912 | 0.79 | — | — | |
| SCHEMBL2708464 | 0.77 | — | — | |
| Lithium Ion SCHEMBL30715902 | 0.76 | CYP2C9 (0.30) | — | |
| SCHEMBL18462661 | 0.73 | PLA2G2C (0.32) | — | |
| SCHEMBL128195 | 0.73 | PLA2G2C (0.35) | — | |
| SCHEMBL31142004 | 0.72 | TSHR (0.45) | — | |
| SCHEMBL3631720 | 0.72 | — | — | |
| SCHEMBL20055306 | 0.71 | CA1 (0.31) | — | |
| SCHEMBL1591167 | 0.71 | CA1 (0.35) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-11639364-B2 | Potent sialyltransferase inhibitors | STICHTING RADBOUD UNIVERSITEIT (NL) | 2023-05-02 | — | — | US | disclosed |
| US-20210107931-A1 | New potent sialyltransferase inhibitors | STICHTING KATHOLIEKE UNIVERSITEIT (NL) | 2021-04-15 | — | — | US | disclosed |