⚠ 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 | |
|---|---|---|---|---|
| Biphenyl SCHEMBL6797568 | 0.86 | MMP2 (0.33) | — | |
| SCHEMBL7611384 | 0.74 | — | — | |
| SCHEMBL30445836 | 0.73 | ALDH1A1 (0.37) | — | |
| SCHEMBL29397569 | 0.73 | — | — | |
| SCHEMBL30288297 | 0.72 | TSHR (0.32) | — | |
| SCHEMBL30288312 | 0.72 | TSHR (0.32) | — | |
| SCHEMBL29850388 | 0.72 | TSHR (0.32) | — | |
| SCHEMBL818316 | 0.72 | TSHR (0.32) | — | |
| SCHEMBL30445962 | 0.72 | TSHR (0.32) | — | |
| SCHEMBL30288305 | 0.72 | TSHR (0.32) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-6489480-B2 | COORDINATION POLYMERIZATION CATALYST FOR ALPHA-OLEFINS | EXXONMOBIL CHEMICAL PATENTS INC. | 2002-12-03 | — | — | US | disclosed |
| US-20020115806-A1 | Olefin polymerization catalysts derived from Group-15 cationic compounds and processes using them | EXXONMOBIL CHEMICAL PATENTS INC. | 2002-08-22 | — | — | US | disclosed |
| US-20020111265-A1 | GROUP-15 CATIONIC COMPOUNDS FOR OLEFIN POLYMERIZATION CATALYSTS | EXXONMOBIL CHEMICAL PATENTS INC. | 2002-08-15 | — | — | US | disclosed |