⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28149457 | 0.74 | GRIK1 (0.44) | — | |
| SCHEMBL11182532 | 0.70 | CES2 (0.43) | — | |
| SCHEMBL11300874 | 0.69 | — | — | |
| SCHEMBL14242081 | 0.69 | — | — | |
| SCHEMBL13725939 | 0.69 | — | — | |
| SCHEMBL11300880 | 0.69 | — | — | |
| SCHEMBL11041860 | 0.68 | GRIK1 (0.33) | — | |
| SCHEMBL11041858 | 0.68 | GRIK1 (0.33) | — | |
| SCHEMBL5049741 | 0.67 | TSHR (0.34) | — | |
| SCHEMBL14915014 | 0.65 | — | — |
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-110062790-B | Stabilizer composition | 巴斯夫欧洲公司 | 2021-09-24 | — | — | CN | disclosed |