⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4559314 | 0.98 | GPR84 (0.30) | — | |
| SCHEMBL4559755 | 0.98 | TSHR (0.30) | — | |
| SCHEMBL5333225 | 0.83 | TSHR (0.33) | — | |
| SCHEMBL4561219 | 0.82 | — | — | |
| SCHEMBL4562132 | 0.82 | — | — | |
| SCHEMBL4562541 | 0.81 | — | — | |
| SCHEMBL30069107 | 0.76 | TSHR (0.32) | — | |
| SCHEMBL23316739 | 0.74 | TSHR (0.30) | — | |
| SCHEMBL7779142 | 0.74 | TSHR (0.30) | — | |
| SCHEMBL4540018 | 0.73 | ARG2 (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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1777239-A1 | Half-metallocene catalyst and process for preparing syndiotactic styrene polymer using the same | LG Chem Ltd. (KR) | 2007-04-25 | — | — | EP | disclosed |