⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL813776 | 0.82 | — | — | |
| SCHEMBL78726 | 0.82 | — | — | |
| SCHEMBL27786956 | 0.82 | — | — | |
| SCHEMBL1085323 | 0.82 | — | — | |
| SCHEMBL80387 | 0.82 | — | — | |
| SCHEMBL23199774 | 0.67 | — | — | |
| SCHEMBL25399538 | 0.67 | — | — | |
| Water SCHEMBL21799233 | 0.67 | — | — | |
| SCHEMBL23199835 | 0.67 | — | — | |
| SCHEMBL22273584 | 0.67 | — | — |
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-20090264282-A1 | Magnesium-titanium-hafnium for high temperature polymerization | NOVA CHEMICALS (INTERNATIONAL) S.A. | 2009-10-22 | — | — | US | disclosed |
| US-6444605-B1 | REACTING A REACTION PRODUCT OF A MAGNESIUM ALKOXIDE OR ARYLOXIDE AND A GROUP IVB METAL ALKOXIDE OR ARYLOXIDE; AND A CYCLIC OR POLYCYCLIC HYDROCARBON; PREPARING POLYOLEFINS WITH BROAD OR BIMODAL MOLECULAR WEIGHT DISTRIBUTION | UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION | 2002-09-03 | — | — | US | disclosed |
| US-6399531-B1 | COORDINATION CATALYST | UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION | 2002-06-04 | — | — | US | disclosed |