⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25427246 | 0.78 | — | — | |
| SCHEMBL533653 | 0.76 | MEN1 (0.35) | — | |
| SCHEMBL24917625 | 0.71 | HDAC3 (0.35) | — | |
| SCHEMBL25426749 | 0.69 | PGK1 (0.52) | — | |
| SCHEMBL25308644 | 0.68 | KDM4E (0.33) | — | |
| SCHEMBL19744110 | 0.68 | RAB9A (0.33) | — | |
| SCHEMBL3163858 | 0.67 | CCR4 (0.44) | — | |
| SCHEMBL2933110 | 0.67 | CES2 (0.35) | — | |
| SCHEMBL29987876 | 0.67 | PGK1 (0.36) | — | |
| SCHEMBL3396791 | 0.63 | ALDH1A1 (0.37) | — |
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-2023286057-A1 | NOVEL DERIVATIVES OF NON-CODED AMINO ACIDS AND THEIR USE AS HERBICIDES | FORTEPHEST LTD (IL) | 2023-01-19 | — | — | WO | disclosed |