⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7098261 | 0.87 | — | — | |
| SCHEMBL7095033 | 0.83 | TSHR (0.33) | — | |
| SCHEMBL7094208 | 0.77 | TSHR (0.32) | — | |
| SCHEMBL221428 | 0.75 | TSHR (0.32) | — | |
| SCHEMBL221493 | 0.73 | — | — | |
| SCHEMBL221492 | 0.73 | — | — | |
| SCHEMBL7099020 | 0.73 | TSHR (0.31) | — | |
| SCHEMBL7786611 | 0.70 | — | — | |
| SCHEMBL7786609 | 0.70 | — | — | |
| SCHEMBL11845669 | 0.69 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2003089484-A1 | MULTI-COMPONENT LIQUID AZO-PEROXIDE INITIATOR MIXTURE AND METHOD FOR USING SAME | CROMPTON CORPORATION (US) | 2003-10-30 | — | — | WO | disclosed |