⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6024802 | 0.83 | — | — | |
| SCHEMBL3250426 | 0.83 | TSHR (0.32) | — | |
| SCHEMBL5984991 | 0.79 | — | — | |
| SCHEMBL2136686 | 0.79 | — | — | |
| SCHEMBL5984997 | 0.79 | — | — | |
| SCHEMBL2136680 | 0.79 | — | — | |
| SCHEMBL8960700 | 0.76 | — | — | |
| SCHEMBL8960694 | 0.76 | — | — | |
| SCHEMBL10590713 | 0.75 | — | — | |
| SCHEMBL11323547 | 0.74 | GRIK1 (0.32) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110423191-B | Synthesis method of terminal carboxylic acid | 常州大学 | 2022-03-29 | — | — | CN | disclosed |
| CN-110423191-A | A kind of synthetic method of end position carboxylic acid | UNIV CHANGZHOU | 2019-11-08 | — | — | CN | disclosed |