⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL36316 | 0.96 | — | — | |
| Fluoride SCHEMBL17484072 | 0.92 | — | — | |
| SCHEMBL7711968 | 0.92 | — | — | |
| SCHEMBL30421852 | 0.92 | — | — | |
| SCHEMBL16909927 | 0.85 | — | — | |
| SCHEMBL15303336 | 0.79 | — | — | |
| SCHEMBL28936026 | 0.79 | — | — | |
| SCHEMBL19459412 | 0.77 | — | — | |
| SCHEMBL21122158 | 0.77 | — | — | |
| SCHEMBL19459413 | 0.77 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2011068649-A2 | METHOD FOR PRODUCING FLUORINATED ORGANIC COMPOUNDS | HONEYWELL INTERNATIONAL INC. (US) | 2011-06-09 | — | — | WO | disclosed |