⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1453479 | 0.86 | — | — | |
| SCHEMBL1454334 | 0.85 | — | — | |
| SCHEMBL1453873 | 0.84 | PDCD1 (0.30) | — | |
| SCHEMBL1453463 | 0.83 | PTAFR (0.32) | — | |
| SCHEMBL1454274 | 0.80 | — | — | |
| SCHEMBL1452317 | 0.80 | — | — | |
| SCHEMBL1452938 | 0.80 | ADRA2A (0.30) | — | |
| SCHEMBL1454010 | 0.79 | — | — | |
| SCHEMBL1453780 | 0.79 | — | — | |
| SCHEMBL7038029 | 0.77 | PDCD1 (0.34) | — |
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 |