⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9204032 | 0.81 | MGAM (0.50) | — | |
| SCHEMBL6116108 | 0.80 | — | — | |
| SCHEMBL28847834 | 0.80 | — | — | |
| SCHEMBL6829993 | 0.80 | MGAM (0.48) | — | |
| SCHEMBL1332051 | 0.78 | — | — | |
| SCHEMBL3503171 | 0.78 | — | — | |
| SCHEMBL8617377 | 0.78 | — | — | |
| SCHEMBL6638603 | 0.78 | — | — | |
| SCHEMBL9199157 | 0.78 | — | — | |
| SCHEMBL4673728 | 0.78 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-116710549-A | Method for producing chain unsaturated carboxylic acid compound using phenylalanine ammonia lyase | 国立研究开发法人理化学研究所 | 2023-09-05 | — | — | CN | disclosed |