⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21828483 | 0.78 | — | — | |
| SCHEMBL21813906 | 0.76 | TNKS (0.35) | — | |
| SCHEMBL21813891 | 0.74 | NFKB1 (0.36) | — | |
| SCHEMBL21813974 | 0.73 | DCTPP1 (0.34) | — | |
| SCHEMBL21813459 | 0.73 | — | — | |
| SCHEMBL27637075 | 0.67 | NFKB1 (0.50) | — | |
| SCHEMBL359942 | 0.65 | SYK (0.39) | — | |
| SCHEMBL2233309 | 0.62 | AXL (0.38) | — | |
| SCHEMBL29723136 | 0.62 | — | — | |
| SCHEMBL16152612 | 0.62 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20200102324-A1 | UDP GLYCOSYLTRANSFERASE INHIBITORS AND METHODS OF USE | GENZYME CORPORATION | 2020-04-02 | — | — | US | disclosed |