⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17755549 | 0.77 | — | — | |
| SCHEMBL13113577 | 0.72 | — | — | |
| SCHEMBL27895565 | 0.72 | — | — | |
| SCHEMBL14346656 | 0.68 | — | — | |
| SCHEMBL10138655 | 0.65 | — | — | |
| SCHEMBL18827247 | 0.65 | — | — | |
| SCHEMBL17755550 | 0.65 | — | — | |
| SCHEMBL27632142 | 0.63 | — | — | |
| SCHEMBL16919269 | 0.58 | — | — | |
| SCHEMBL10472318 | 0.54 | — | — |
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-9643935-B2 | Process for preparing 4,6-BIS (aryloxy) pyrimidine derivatives | CHEMINOVA A/S (DK) | 2017-05-09 | — | — | US | disclosed |