⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL26859845 | 0.76 | KEAP1 (0.41) | — | |
| SCHEMBL26859878 | 0.65 | KEAP1 (0.48) | — | |
| SCHEMBL26859864 | 0.64 | KEAP1 (0.43) | — | |
| SCHEMBL29698480 | 0.62 | KEAP1 (0.47) | — | |
| SCHEMBL11264534 | 0.57 | CPB2 (0.45) | — | |
| SCHEMBL15450729 | 0.55 | CPB2 (0.44) | — | |
| SCHEMBL3344367 | 0.55 | CPB2 (0.40) | — | |
| SCHEMBL3344370 | 0.55 | CPB2 (0.40) | — | |
| SCHEMBL28477850 | 0.54 | CPB2 (0.42) | — | |
| SCHEMBL27501941 | 0.54 | CPB2 (0.42) | — |
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-2023230336-A2 | BIOCATALYTIC SYNTHESIS OF UNNATURAL MYCOSPORINE-LIKE AMINO ACIDS | UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) | 2023-11-30 | — | — | WO | disclosed |