⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7047520 | 0.82 | GABRA1 (0.40) | — | |
| SCHEMBL17034697 | 0.74 | TDP2 (0.35) | — | |
| SCHEMBL13265590 | 0.74 | — | — | |
| SCHEMBL4035804 | 0.73 | CYP2A6 (0.36) | — | |
| SCHEMBL30477217 | 0.73 | CYP2A6 (0.36) | — | |
| SCHEMBL6141265 | 0.69 | — | — | |
| SCHEMBL17034694 | 0.69 | CYP3A4 (0.42) | — | |
| SCHEMBL1453793 | 0.69 | ADRA2A (0.37) | — | |
| SCHEMBL30039464 | 0.69 | ALDH1A1 (0.36) | — | |
| SCHEMBL830824 | 0.69 | ALDH1A1 (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 |
|---|---|---|---|---|---|---|---|
| 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 |