⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11617325 | 0.90 | — | — | |
| SCHEMBL11613146 | 0.88 | ALDH1A1 (0.36) | — | |
| SCHEMBL11617607 | 0.88 | ALDH1A1 (0.36) | — | |
| SCHEMBL7639645 | 0.80 | — | — | |
| SCHEMBL766023 | 0.79 | — | — | |
| SCHEMBL2198815 | 0.76 | — | — | |
| SCHEMBL1561895 | 0.72 | — | — | |
| SCHEMBL7635170 | 0.71 | ALDH1A1 (0.30) | — | |
| SCHEMBL1867394 | 0.71 | — | — | |
| SCHEMBL21723238 | 0.71 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6350926-B1 | HYDROFLUORINATION OF CHLOROBUTANE OR CHLOROBUTENE | SYNGENTA LIMITED (GB) | 2002-02-26 | — | — | US | disclosed |
| EP-0853606-B1 | 1,1-DIFLUORO-1,4-DICHLOROBUTANE AND PROCESS FOR ITS PREPARATION | SYNGENTA LTD (GB) | 2001-09-26 | — | — | EP | disclosed |
| US-6075172-A | Chlorofluorohydrocarbon and process thereto | ZENECA LIMITED (GB) | 2000-06-13 | — | — | US | disclosed |
| US-5852222-A | Process | ZENECA LIMITED (GB) | 1998-12-22 | — | — | US | disclosed |
| EP-0853606-A1 | 1,1-DIFLUORO-1,4-DICHLOROBUTANE AND PROCESS FOR ITS PREPARATION | ZENECA LIMITED (GB) | 1998-07-22 | — | — | EP | disclosed |
| WO-1997010192-A1 | 1,1-DIFLUORO-1,4-DICHLOROBUTANE AND PROCESS FOR ITS PREPARATION | ZENECA LIMITED (GB) | 1997-03-20 | — | — | WO | disclosed |