⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28790621 | 0.75 | — | — | |
| SCHEMBL1627119 | 0.73 | — | — | |
| SCHEMBL8629366 | 0.73 | — | — | |
| SCHEMBL8651048 | 0.71 | — | — | |
| SCHEMBL5717354 | 0.71 | — | — | |
| SCHEMBL11625639 | 0.69 | — | — | |
| SCHEMBL29078 | 0.67 | — | — | |
| SCHEMBL2005096 | 0.65 | — | — | |
| SCHEMBL14559243 | 0.65 | — | — | |
| SCHEMBL8633434 | 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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1200717-A | Process for preparing 4-bromo-1,1-difluorbut-1-ene and 2,4-dibromo-1,1,1-trifluorobutane | ZENECA LTD (GB) | 1998-12-02 | — | — | CN | disclosed |
| 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 | disclosed |
| 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 | disclosed |