⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1453826 | 0.85 | — | — | |
| SCHEMBL1454204 | 0.82 | — | — | |
| SCHEMBL1453709 | 0.81 | PTGS2 (0.32) | — | |
| SCHEMBL1454281 | 0.75 | — | — | |
| SCHEMBL1454395 | 0.74 | — | — | |
| SCHEMBL1452667 | 0.74 | — | — | |
| SCHEMBL1454552 | 0.73 | — | — | |
| SCHEMBL1452702 | 0.73 | — | — | |
| SCHEMBL1452613 | 0.69 | DRD2 (0.31) | — | |
| SCHEMBL1452595 | 0.68 | PTGS2 (0.38) | — |
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-7910783-B2 | Preparation of substituted bridged indenyl and related ligands | EXXONMOBIL CHEMICAL PATENTS INC. (US) | 2011-03-22 | — | — | US | disclosed |
| US-20070135596-A1 | Preparation of substituted bridged indenyl and related ligands | EXXONMOBIL CHEMICAL PATENTS INC. | 2007-06-14 | — | — | US | disclosed |