⚠ 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 | |
|---|---|---|---|---|
| Decane SCHEMBL23174724 | 1.00 | TSHR (0.89) | — | |
| Decane SCHEMBL5084996 | 1.00 | TSHR (0.89) | — | |
| Nonane SCHEMBL27486798 | 1.00 | TSHR (0.89) | — | |
| Octane SCHEMBL8988185 | 1.00 | — | — | |
| SCHEMBL23174725 | 1.00 | TSHR (0.89) | — | |
| Heptane SCHEMBL28095754 | 0.95 | — | — | |
| Heptane SCHEMBL23091221 | 0.95 | TSHR (0.80) | — | |
| Heptane SCHEMBL17968620 | 0.95 | TSHR (0.80) | — | |
| Tetradecane SCHEMBL23924271 | 0.94 | TSHR (1.00) | — | |
| Hexadecane SCHEMBL23499901 | 0.94 | TSHR (1.00) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101107237-A | Asymmetric synthesis of substituted dihydrobenzofurans | WYETH CORP (US) | 2008-01-16 | — | — | CN | disclosed |
| CN-1225095-A | Asymmetric synthesis catalyzed by transition metal complexes with cyclic chiral ligands | PENN STATE RES FOUND (US) | 1999-08-04 | — | — | CN | disclosed |
| WO-1997047633-A9 | ASYMMETRIC SYNTHESIS CATALYZED BY TRANSITION METAL COMPLEXES WITH CYCLIC CHIRAL PHOSPHINE LIGANDS | — | 1998-03-12 | — | — | WO | disclosed |