⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL362236 | 0.81 | — | — | |
| SCHEMBL4409617 | 0.75 | GAA (0.57) | — | |
| SCHEMBL14535413 | 0.74 | GAA (0.47) | — | |
| SCHEMBL15010517 | 0.74 | GAA (0.47) | — | |
| SCHEMBL30951728 | 0.74 | GAA (0.47) | — | |
| SCHEMBL9183915 | 0.73 | — | — | |
| SCHEMBL4414727 | 0.73 | GAA (0.55) | — | |
| SCHEMBL4409987 | 0.73 | GAA (0.55) | — | |
| SCHEMBL17962968 | 0.73 | — | — | |
| SCHEMBL7172713 | 0.73 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023014690-A1 | COMPOSITIONS AND METHODS FOR OVERCOMING MICROENVIRONMENT-MEDIATED RESISTANCE VIA E-SELECTIN TARGETING | GLYCOMIMETICS, INC. (US) | 2023-02-09 | — | — | WO | disclosed |