⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9393867 | 0.73 | — | — | |
| SCHEMBL27613015 | 0.69 | — | — | |
| SCHEMBL1307930 | 0.67 | TSHR (0.35) | — | |
| SCHEMBL13354698 | 0.66 | ALDH1A1 (0.30) | — | |
| 3-Methylbutanol SCHEMBL901083 | 0.65 | TSHR (0.50) | — | |
| SCHEMBL28762 | 0.65 | — | — | |
| 3-Methylbutanol SCHEMBL12054 | 0.65 | — | — | |
| 3-Methylbutanol SCHEMBL8407955 | 0.65 | TSHR (0.50) | — | |
| SCHEMBL6948738 | 0.65 | TSHR (0.40) | — | |
| SCHEMBL12191383 | 0.63 | THRB (0.44) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20120264737-A1 | Heterocyclic Modulators of Lipid Synthesis | 3-V BIOSCIENCES, INC. (US) | 2012-10-18 | — | — | US | disclosed |