⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL336565 | 0.83 | — | — | |
| SCHEMBL14785216 | 0.80 | — | — | |
| SCHEMBL336127 | 0.79 | TSHR (0.30) | — | |
| SCHEMBL335432 | 0.68 | — | — | |
| SCHEMBL20609964 | 0.68 | TSHR (0.32) | — | |
| SCHEMBL11533508 | 0.65 | TSHR (0.33) | — | |
| SCHEMBL5970132 | 0.64 | — | — | |
| SCHEMBL12087451 | 0.62 | — | — | |
| SCHEMBL582409 | 0.62 | — | — | |
| SCHEMBL335932 | 0.62 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20080139762-A1 | Metallocene Compounds, Ligands Used in Their Preparation, Preparation of 1-Butene Polymers and 1-Butene Polymers Therefrom | BASELL POLYOLEFINE GMBH (DE) | 2008-06-12 | — | — | US | disclosed |