⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5612727 | 0.77 | — | — | |
| Hydrochloric Acid SCHEMBL2532087 | 0.73 | — | — | |
| SCHEMBL2534832 | 0.73 | — | — | |
| SCHEMBL5612622 | 0.73 | — | — | |
| SCHEMBL7045343 | 0.70 | — | — | |
| SCHEMBL7641762 | 0.69 | — | — | |
| SCHEMBL8009224 | 0.68 | — | — | |
| SCHEMBL390616 | 0.68 | — | — | |
| SCHEMBL7800574 | 0.67 | UGT2B17 (0.30) | — | |
| SCHEMBL2535824 | 0.67 | GABRA1 (0.30) | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8044155-B2 | Coordination polymerization catalyst containing magnesium compound, titanium compound and organoaluminum compound | STICHTING DUTCH POLYMER INSTITUTE (NL) | 2011-10-25 | — | — | US | disclosed |
| EP-1716185-B1 | Titanocene-based catalyst system | STICHTING DUTCH POLYMER INST (NL) | 2009-10-21 | — | — | EP | disclosed |
| US-20080234452-A1 | TITANOCENE-BASED CATALYST SYSTEM | STICHTING DUTCH POLYMER INSTITUTE (NL) | 2008-09-25 | — | — | US | disclosed |
| US-20070179049-A1 | Titanocenen-based catalyst system | STICHTING DUTCH POLYMER INSTITUTE (NL) | 2007-08-02 | — | — | US | disclosed |
| EP-1716185-A1 | TITANOCENE-BASED CATALYST SYSTEM | Stichting Dutch Polymer Institute (NL) | 2006-11-02 | — | — | EP | disclosed |
| WO-2005077989-A1 | TITANOCENEN-BASED CATALYST SYSTEM | STICHTING DUTCH POLYMER INSTITUTE (NL) | 2005-08-25 | — | — | WO | disclosed |
| EP-1564226-A1 | Titanocene-based catalyst system | Stichting Dutch Polymer Institute (NL) | 2005-08-17 | — | — | EP | disclosed |