⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4561581 | 0.84 | — | — | |
| SCHEMBL1835245 | 0.79 | — | — | |
| SCHEMBL6048123 | 0.78 | TSHR (0.38) | — | |
| SCHEMBL5333222 | 0.74 | — | — | |
| SCHEMBL10955142 | 0.73 | TSHR (0.33) | — | |
| SCHEMBL1420315 | 0.71 | — | — | |
| SCHEMBL9238628 | 0.71 | TSHR (0.39) | — | |
| SCHEMBL4559753 | 0.70 | — | — | |
| SCHEMBL5337637 | 0.69 | SIGMAR1 (0.30) | — | |
| SCHEMBL15243171 | 0.69 | TSHR (0.30) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1777239-B1 | Half-metallocene catalyst and process for preparing syndiotactic styrene polymer using the same | LG CHEMICAL LTD (KR) | 2014-09-10 | — | — | EP | disclosed |
| 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 |