⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6912955 | 0.80 | — | — | |
| SCHEMBL335320 | 0.78 | — | — | |
| SCHEMBL598087 | 0.76 | TSHR (0.33) | — | |
| SCHEMBL335571 | 0.73 | TSHR (0.32) | — | |
| SCHEMBL6910681 | 0.72 | — | — | |
| SCHEMBL335713 | 0.71 | TSHR (0.30) | — | |
| SCHEMBL27242008 | 0.70 | — | — | |
| SCHEMBL20079351 | 0.70 | — | — | |
| SCHEMBL18790926 | 0.69 | TSHR (0.33) | — | |
| SCHEMBL10290190 | 0.69 | TSHR (0.37) | — |
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-1141049-B1 | CATALYST SYSTEM FOR OLEFIN POLYMERIZATION | BASELL POLYOLEFINE GMBH (DE) | 2004-06-09 | — | — | EP | claimed |