⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1452772 | 0.87 | — | — | |
| SCHEMBL1452639 | 0.86 | BRD4 (0.33) | — | |
| SCHEMBL1452880 | 0.82 | — | — | |
| SCHEMBL1453325 | 0.82 | — | — | |
| SCHEMBL1453410 | 0.80 | — | — | |
| SCHEMBL1453633 | 0.79 | — | — | |
| SCHEMBL1452468 | 0.77 | — | — | |
| SCHEMBL1452661 | 0.75 | CYP11B1 (0.32) | — | |
| SCHEMBL1452563 | 0.74 | — | — | |
| SCHEMBL1451966 | 0.72 | HTR6 (0.41) | — |
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 |