⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10087232 | 0.80 | — | — | |
| SCHEMBL719670 | 0.79 | L3MBTL1 (0.31) | — | |
| SCHEMBL13256625 | 0.77 | — | — | |
| SCHEMBL719376 | 0.77 | KDM4E (0.34) | — | |
| SCHEMBL10087230 | 0.76 | GAA (0.33) | — | |
| SCHEMBL10087233 | 0.76 | L3MBTL1 (0.30) | — | |
| SCHEMBL719703 | 0.76 | ALDH1A1 (0.32) | — | |
| SCHEMBL17745507 | 0.76 | TSPO (0.33) | — | |
| SCHEMBL119092 | 0.76 | KMT2A (0.35) | — | |
| SCHEMBL12338399 | 0.76 | — | — |
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-20120053053-A1 | PYRIMIDINE DERIVATIVES AND THEIR USE AS HERBICIDES | SYNGENTA CROP PROTECTION, LLC (US) | 2012-03-01 | — | — | US | disclosed |