⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL668421 | 0.84 | TSHR (0.38) | — | |
| SCHEMBL16253855 | 0.84 | TSHR (0.38) | — | |
| SCHEMBL15005628 | 0.84 | TSHR (0.38) | — | |
| SCHEMBL15005156 | 0.84 | TSHR (0.38) | — | |
| SCHEMBL15004999 | 0.84 | TSHR (0.38) | — | |
| SCHEMBL716434 | 0.78 | CHRM1 (0.39) | — | |
| SCHEMBL1463338 | 0.77 | TSHR (0.33) | — | |
| SCHEMBL608800 | 0.77 | — | — | |
| SCHEMBL3433695 | 0.74 | MAPT (0.42) | — | |
| SCHEMBL1052933 | 0.74 | — | — |
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-9969673-B2 | Process for the manufacture of 1, 1′-difluorosubstituted dialkyl carbonates, isomers thereof and electrolyte compositions containing them | SOLVAY S.A. (BE) | 2018-05-15 | — | — | US | disclosed |