⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL269415 | 0.78 | — | — | |
| SCHEMBL269245 | 0.78 | — | — | |
| SCHEMBL5932551 | 0.74 | TSHR (0.41) | — | |
| SCHEMBL11651306 | 0.72 | — | — | |
| SCHEMBL17900058 | 0.72 | — | — | |
| SCHEMBL13213381 | 0.72 | — | — | |
| SCHEMBL25556959 | 0.71 | CYP2C19 (0.48) | — | |
| SCHEMBL23868460 | 0.70 | CYP2C19 (0.50) | — | |
| SCHEMBL21236801 | 0.70 | — | — | |
| SCHEMBL20931126 | 0.70 | CACNA2D1 (0.34) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2894173-B1 | HYALURONIC ACID DERIVATIVE HAVING AMINO ACID AND STERYL GROUP INTRODUCED THEREINTO | CHUGAI PHARMACEUTICAL CO LTD (JP) | 2017-04-19 | — | — | EP | disclosed |