⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL58160 | 0.61 | — | — | |
| SCHEMBL152852 | 0.61 | — | — | |
| SCHEMBL8780537 | 0.55 | — | — | |
| SCHEMBL1449033 | 0.50 | — | — | |
| SCHEMBL9791423 | 0.50 | — | — | |
| SCHEMBL16724562 | 0.50 | — | — | |
| SCHEMBL9328117 | 0.50 | — | — | |
| SCHEMBL65360 | 0.50 | — | — | |
| SCHEMBL10788355 | 0.50 | — | — | |
| SCHEMBL3326845 | 0.50 | — | — |
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-20070049776-A1 | Preparation of Monofluoromethyl Ether | SHANDONG NEWTIME PHARMACEUTICALS CO., LTD (CN) | 2007-03-01 | — | — | US | disclosed |