⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL698169 | 0.76 | — | — | |
| SCHEMBL1636770 | 0.74 | — | — | |
| SCHEMBL1645569 | 0.73 | KDM4E (0.32) | — | |
| SCHEMBL16881090 | 0.70 | — | — | |
| SCHEMBL1638202 | 0.67 | MEN1 (0.42) | — | |
| SCHEMBL5946631 | 0.67 | — | — | |
| SCHEMBL1133366 | 0.65 | KDM4E (0.31) | — | |
| SCHEMBL3834723 | 0.65 | — | — | |
| SCHEMBL16390906 | 0.65 | — | — | |
| SCHEMBL113085 | 0.64 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2016057931-A1 | TRIFLUOROMETHOXYLATION OF ARENES VIA INTRAMOLECULAR TRIFLUOROMETHOXY GROUP MIGRATION | THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) | 2016-04-14 | — | — | WO | disclosed |
| WO-2011045271-A1 | HERBICIDALLY ACTIVE, HETEROCYCLYL-SUBSTITUTED PYRIDAZINONES | BAYER CROPSCIENCE AG (DE) | 2011-04-21 | — | — | WO | disclosed |