⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5664021 | 1.00 | — | — | |
| SCHEMBL5663736 | 1.00 | — | — | |
| SCHEMBL822531 | 0.98 | — | — | |
| SCHEMBL822343 | 0.95 | — | — | |
| SCHEMBL6064018 | 0.94 | — | — | |
| Biphenyl SCHEMBL7654752 | 0.89 | ALDH1A1 (0.34) | — | |
| Biphenyl SCHEMBL7649066 | 0.89 | ALDH1A1 (0.34) | — | |
| Biphenyl SCHEMBL7649417 | 0.89 | ALDH1A1 (0.34) | — | |
| Biphenyl SCHEMBL7653685 | 0.89 | ALDH1A1 (0.34) | — | |
| Biphenyl SCHEMBL7652300 | 0.89 | ALDH1A1 (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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1560857-A4 | SYNTHESIS OF POLYMERIZATION CATALYST COMPONENTS | UNIVATION TECH LLC (US) | 2006-04-19 | — | — | EP | disclosed |
| EP-1560857-A2 | SYNTHESIS OF POLYMERIZATION CATALYST COMPONENTS | Univation Technologies LLC (US) | 2005-08-10 | — | — | EP | disclosed |
| WO-2004044010-A2 | SYNTHESIS OF POLYMERIZATION CATALYST COMPONENTS | UNIVATION TECHNOLOGIES, LLC (US) | 2004-05-27 | — | — | WO | disclosed |