⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27704859 | 0.75 | — | — | |
| SCHEMBL541432 | 0.71 | TSHR (0.33) | — | |
| SCHEMBL27695608 | 0.71 | TSHR (0.33) | — | |
| SCHEMBL17665961 | 0.71 | TSHR (0.33) | — | |
| SCHEMBL30636770 | 0.71 | SLC7A5 (0.33) | — | |
| SCHEMBL17665965 | 0.69 | TSHR (0.32) | — | |
| SCHEMBL17665964 | 0.69 | TSHR (0.32) | — | |
| SCHEMBL21982178 | 0.69 | TSHR (0.32) | — | |
| SCHEMBL11217961 | 0.69 | CHRM2 (0.31) | — | |
| SCHEMBL4561869 | 0.68 | ALDH1A1 (0.34) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20080317700-A1 | Synthesis and biological activity of photopolymerizable derivatives of glyphosate | BOWLING GREEN STATE UNIVERSITY (US) | 2008-12-25 | — | — | US | disclosed |
| WO-2008147404-A1 | SYNTHESIS AND BIOLOGICAL ACTIVITY OF PHOTOPOLYMERIZABLE DERIVATIVES OF GLYPHOSATE | BOWLING GREEN STATE UNIVERSITY (US) | 2008-12-04 | — | — | WO | disclosed |