⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7644383 | 0.90 | CYP1A2 (0.30) | — | |
| SCHEMBL7648926 | 0.90 | CYP1A2 (0.34) | — | |
| SCHEMBL23611423 | 0.88 | CYP1A2 (0.33) | — | |
| SCHEMBL7645166 | 0.88 | CYP1A2 (0.38) | — | |
| SCHEMBL7648482 | 0.88 | CYP1A2 (0.38) | — | |
| SCHEMBL6690740 | 0.83 | CYP1A2 (0.30) | — | |
| SCHEMBL6690885 | 0.79 | — | — | |
| SCHEMBL6692911 | 0.77 | — | — | |
| SCHEMBL12471873 | 0.77 | CYP1A2 (0.33) | — | |
| SCHEMBL6689620 | 0.75 | CYP1A2 (0.36) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6469112-B2 | SOLID TITANIUM CATALYST COMPONENT; AN ORGANOALUMINUM COMPOUND; AND AN ORGANOSILICON COMPOUND COMPRISING AT LEAST ONE (CYCLOALKYL)METHYL GROUP; MAKING HIGH XYLENE SOLUBLE POLYOLEFINS WITH CATALYTIC EFFICIENCY | ENGELHARD CORPORATION | 2002-10-22 | — | — | US | claimed |
| US-6469112-B2 | SOLID TITANIUM CATALYST COMPONENT; AN ORGANOALUMINUM COMPOUND; AND AN ORGANOSILICON COMPOUND COMPRISING AT LEAST ONE (CYCLOALKYL)METHYL GROUP; MAKING HIGH XYLENE SOLUBLE POLYOLEFINS WITH CATALYTIC EFFICIENCY | ENGELHARD CORPORATION | 2002-10-22 | — | — | US | disclosed |