⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19979037 | 0.81 | CHUK (0.36) | — | |
| SCHEMBL20940632 | 0.70 | PTPN1 (0.34) | — | |
| SCHEMBL13828408 | 0.70 | ALDH1A1 (0.38) | — | |
| SCHEMBL19978936 | 0.68 | PDPK1 (0.38) | — | |
| SCHEMBL13828336 | 0.67 | GFER (0.33) | — | |
| SCHEMBL12658526 | 0.65 | CDK2 (0.52) | — | |
| SCHEMBL13983508 | 0.64 | KDM4E (0.30) | — | |
| SCHEMBL19978957 | 0.57 | — | — | |
| SCHEMBL6003429 | 0.57 | AXL (0.30) | — | |
| SCHEMBL7168981 | 0.56 | KHK (0.36) | — |
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-2021003132-A1 | ENGINEERED SUCROSE PHOSPHORYLASE VARIANT ENZYMES | CODEXIS, INC. (US) | 2021-01-07 | — | — | WO | disclosed |