⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4651939 | 0.85 | ALDH1A1 (0.30) | — | |
| SCHEMBL1452802 | 0.81 | BRD4 (0.31) | — | |
| SCHEMBL1451737 | 0.81 | BRD4 (0.31) | — | |
| SCHEMBL1452889 | 0.80 | NPC1 (0.30) | — | |
| SCHEMBL1452697 | 0.80 | — | — | |
| SCHEMBL8072252 | 0.78 | PDCD1 (0.34) | — | |
| Hydrochloric Acid SCHEMBL28878594 | 0.74 | BRD4 (0.32) | — | |
| SCHEMBL5862311 | 0.73 | BRD9 (0.34) | — | |
| SCHEMBL4652002 | 0.72 | PPARG (0.33) | — | |
| SCHEMBL1451691 | 0.72 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1971621-A1 | PREPARATION OF SUBSTITUTED BRIDGED INDENYL AND RELATED LIGANDS | ExxonMobil Chemical Patents Inc. (US) | 2008-09-24 | — | — | EP | disclosed |
| WO-2007070045-A1 | PREPARATION OF SUBSTITUTED BRIDGED INDENYL AND RELATED LIGANDS | EXXONMOBIL CHEMICAL PATENTS, INC. (US) | 2007-06-21 | — | — | WO | disclosed |