⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11280434 | 0.72 | — | — | |
| SCHEMBL201821 | 0.72 | — | — | |
| Water SCHEMBL28332941 | 0.70 | GAA (0.34) | — | |
| SCHEMBL3035968 | 0.70 | GAA (0.34) | — | |
| SCHEMBL28091641 | 0.70 | GAA (0.34) | — | |
| SCHEMBL5932351 | 0.70 | — | — | |
| SCHEMBL8766655 | 0.70 | GAA (0.34) | — | |
| Ammonia Solution, Strong SCHEMBL7167292 | 0.70 | GAA (0.34) | — | |
| SCHEMBL3713513 | 0.70 | GAA (0.34) | — | |
| SCHEMBL22986789 | 0.69 | KDM4E (0.33) | — |
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-7763562-B2 | Heteroatom bridged metallocene compounds for olefin polymerization | EXXONMOBIL CHEMICAL PATENTS INC. (US) | 2010-07-27 | — | — | US | disclosed |
| US-20070135597-A1 | Heteroatom bridged metallocene compounds for olefin polymerization | EXXONMOBIL CHEMICAL PATENTS INC. | 2007-06-14 | — | — | US | disclosed |
| EP-1204691-B1 | SOLVENT-FREE, ROOM TEMPERATURE CURING REACTIVE SYSTEMS AND THE USE THEREOF IN THE PRODUCTION OF ADHESIVES, SEALING AGENTS, CASTING COMPOUNDS, MOLDED ARTICLES OR COATINGS | BAYER AG (DE) | 2003-10-01 | — | — | EP | disclosed |