⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6802834 | 0.70 | — | — | |
| SCHEMBL7152648 | 0.70 | — | — | |
| SCHEMBL27731102 | 0.67 | — | — | |
| SCHEMBL27862888 | 0.67 | — | — | |
| SCHEMBL514117 | 0.67 | — | — | |
| SCHEMBL2971106 | 0.65 | — | — | |
| Fluoroacetate SCHEMBL28117751 | 0.64 | — | — | |
| SCHEMBL6591708 | 0.63 | — | — | |
| SCHEMBL4782174 | 0.63 | — | — | |
| Fluoroacetate SCHEMBL5908770 | 0.60 | — | — |
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-105980353-B | ROR gamma modulators | 领先制药控股公司 | 2019-06-14 | — | — | CN | claimed |
| CN-105980353-B | ROR gamma modulators | 领先制药控股公司 | 2019-06-14 | — | — | CN | disclosed |