⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL30262989 | 0.89 | TSHR (0.41) | — | |
| SCHEMBL33774 | 0.89 | TSHR (0.41) | — | |
| SCHEMBL28069237 | 0.89 | TSHR (0.41) | — | |
| Formic Acid SCHEMBL11523486 | 0.86 | GABRR1 (0.36) | — | |
| SCHEMBL28057882 | 0.86 | TSHR (0.39) | — | |
| SCHEMBL28328042 | 0.86 | TSHR (0.39) | — | |
| Ammonia Solution, Strong SCHEMBL27750230 | 0.86 | TSHR (0.39) | — | |
| Ammonia Solution, Strong SCHEMBL27914658 | 0.86 | TSHR (0.39) | — | |
| Methylamine SCHEMBL7738775 | 0.83 | TSHR (0.38) | — | |
| SCHEMBL8461708 | 0.81 | PPARA (0.38) | — |
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-20120165414-A1 | TERMINAL UNSATURATED, GLYCIDOL-BASED MACROMONOMERS, POLYMERS OBTAINABLE THEREFROM, PREPARATION AND USE | BYK-CHEMIE GMBH (DE) | 2012-06-28 | — | — | US | disclosed |