⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9706564 | 0.80 | — | — | |
| SCHEMBL28953495 | 0.79 | — | — | |
| SCHEMBL301810 | 0.79 | — | — | |
| SCHEMBL1425949 | 0.73 | — | — | |
| SCHEMBL29083166 | 0.73 | — | — | |
| SCHEMBL16456972 | 0.73 | — | — | |
| SCHEMBL22286238 | 0.72 | — | — | |
| SCHEMBL2320919 | 0.71 | — | — | |
| SCHEMBL23825150 | 0.69 | — | — | |
| SCHEMBL10712644 | 0.69 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0850211-A1 | PROCESS FOR THE PREPARATION OF 4-BROMO-1,1-DIFLUOROBUT-1-ENE AND 2,4-DIBROMO-1,1,1-TRIFLUOROBUTANE | ZENECA LIMITED (GB) | 1998-07-01 | — | — | EP | claimed |
| WO-1997009292-A1 | PROCESS FOR THE PREPARATION OF 4-BROMO-1,1-DIFLUOROBUT-1-ENE AND 2,4-DIBROMO-1,1,1-TRIFLUOROBUTANE | ZENECA LIMITED (GB) | 1997-03-13 | — | — | WO | claimed |