⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4651927 | 0.84 | CYP1A2 (0.33) | — | |
| SCHEMBL4650924 | 0.81 | — | — | |
| SCHEMBL3686997 | 0.72 | HTR2A (0.43) | — | |
| SCHEMBL4650891 | 0.72 | SLC6A2 (0.32) | — | |
| SCHEMBL7465941 | 0.71 | PNMT (0.35) | — | |
| SCHEMBL4652136 | 0.71 | — | — | |
| SCHEMBL4651958 | 0.71 | KDM4E (0.31) | — | |
| SCHEMBL5954073 | 0.71 | BCHE (0.36) | — | |
| SCHEMBL7628272 | 0.70 | GABRA1 (0.40) | — | |
| SCHEMBL31043489 | 0.70 | S1PR4 (0.37) | — |
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 |