⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL460981 | 1.00 | — | — | |
| SCHEMBL437305 | 0.93 | TSHR (0.30) | — | |
| SCHEMBL2166852 | 0.83 | — | — | |
| SCHEMBL22654188 | 0.82 | — | — | |
| SCHEMBL460978 | 0.82 | — | — | |
| SCHEMBL460977 | 0.82 | — | — | |
| SCHEMBL28332889 | 0.80 | — | — | |
| SCHEMBL5401229 | 0.79 | TSHR (0.31) | — | |
| SCHEMBL4072028 | 0.79 | TSHR (0.31) | — | |
| SCHEMBL460505 | 0.79 | TSHR (0.34) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-8101697-B2 | Multi-functionalized high-trans elastomeric polymers | BRIDGESTONE CORPORATION (JP) | 2012-01-24 | — | — | US | disclosed |
| US-20060173145-A1 | Multi-functionalized high-trans elastomeric polymers | BRIDGESTONE CORPORATION (JP) | 2006-08-03 | — | — | US | disclosed |