⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2570923 | 0.74 | TSHR (0.34) | — | |
| Methacrylic Acid SCHEMBL1836845 | 0.72 | TSHR (0.30) | — | |
| N,N-Dimethylethanaminium SCHEMBL23833781 | 0.68 | ALDH1A1 (0.37) | — | |
| SCHEMBL6208350 | 0.67 | FDPS (0.33) | — | |
| Methacrylic Acid SCHEMBL8331177 | 0.67 | TGFBR1 (0.31) | — | |
| Methacrylic Acid SCHEMBL619265 | 0.66 | THRB (0.31) | — | |
| N,N-Dimethylethanaminium SCHEMBL23833779 | 0.66 | ALDH1A1 (0.34) | — | |
| N,N-Dimethylethanaminium SCHEMBL15085644 | 0.66 | — | — | |
| SCHEMBL10478376 | 0.65 | TGFBR1 (0.36) | — | |
| SCHEMBL11811706 | 0.64 | TSHR (0.32) | — |
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-8481639-B2 | Polymers with saccharide side groups and their use | BASF SE (DE) | 2013-07-09 | — | — | US | disclosed |