⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11657315 | 0.76 | — | — | |
| SCHEMBL1537133 | 0.73 | — | — | |
| SCHEMBL727651 | 0.73 | — | — | |
| SCHEMBL6158049 | 0.71 | — | — | |
| SCHEMBL9353035 | 0.71 | — | — | |
| SCHEMBL6159047 | 0.71 | — | — | |
| SCHEMBL6158045 | 0.71 | — | — | |
| SCHEMBL6158213 | 0.67 | — | — | |
| SCHEMBL6158613 | 0.67 | — | — | |
| SCHEMBL3655875 | 0.67 | — | — |
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 | 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 |