⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11841959 | 0.79 | MEN1 (0.46) | — | |
| SCHEMBL11429308 | 0.77 | — | — | |
| SCHEMBL7156993 | 0.74 | MEN1 (0.48) | — | |
| SCHEMBL8735140 | 0.72 | MEN1 (0.46) | — | |
| Sevoflurane SCHEMBL61918 | 0.69 | CA1 (0.32) | — | |
| SCHEMBL11868023 | 0.69 | MEN1 (0.37) | — | |
| SCHEMBL11836936 | 0.67 | MEN1 (0.71) | — | |
| SCHEMBL499536 | 0.67 | — | — | |
| Sevoflurane SCHEMBL27460926 | 0.67 | CA1 (0.31) | — | |
| SCHEMBL12061805 | 0.65 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-2279646-A | — | — | None | — | — | JP | disclosed |
| JP-H02279646-A | PRODUCTION OF 1,2,2,2-TETRAFLUOROETHYL DIFLUOROMETHYL ETHER | BOC GROUP INC:THE | 1990-11-15 | — | — | JP | disclosed |
| EP-0005810-B1 | METHOD FOR THE PREPARATION OF ORGANIC FLUORO COMPOUNDS | HOECHST AKTIENGESELLSCHAFT (DE) | 1980-11-12 | — | — | EP | disclosed |
| EP-0005810-A1 | Method for the preparation of organic fluoro compounds | HOECHST AKTIENGESELLSCHAFT (DE) | 1979-12-12 | — | — | EP | disclosed |