⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16445404 | 0.77 | — | — | |
| SCHEMBL4012544 | 0.69 | — | — | |
| SCHEMBL20420867 | 0.69 | — | — | |
| SCHEMBL20508158 | 0.67 | — | — | |
| SCHEMBL10255 | 0.61 | — | — | |
| SCHEMBL922 | 0.59 | — | — | |
| SCHEMBL82188 | 0.59 | — | — | |
| SCHEMBL9776144 | 0.58 | — | — | |
| SCHEMBL115830 | 0.58 | — | — | |
| SCHEMBL140004 | 0.58 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9346838-B2 | Process for the preparation of tris(perfluoroalkyl)phosphine oxides and bis(perfluoroalkyl)phosphinic acids | MERCK PATENT GMBH (DE) | 2016-05-24 | — | — | US | disclosed |
| US-20150141698-A1 | PROCESS FOR THE PREPARATION OF TRIS(PERFLUOROALKYL)PHOSPHINE OXIDES AND BIS(PERFLUOROALKYL)PHOSPHINIC ACIDS | MERCK PATENT GMBH (DE) | 2015-05-21 | — | — | US | disclosed |