⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10766635 | 0.77 | — | — | |
| SCHEMBL7204706 | 0.71 | — | — | |
| SCHEMBL24932461 | 0.69 | — | — | |
| SCHEMBL397456 | 0.69 | — | — | |
| SCHEMBL15963891 | 0.67 | LMNA (0.33) | — | |
| SCHEMBL28787771 | 0.67 | — | — | |
| SCHEMBL15963889 | 0.67 | CES2 (0.34) | — | |
| SCHEMBL27811308 | 0.67 | — | — | |
| Ethylene SCHEMBL5487095 | 0.65 | ALDH1A1 (0.30) | — | |
| SCHEMBL21543933 | 0.65 | HTT (0.31) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-1065520-C | 1,1-difluoro-1,4-dichlorobutane and process for its preparation | ZENECA LTD (GB) | 2001-05-09 | — | — | CN | disclosed |
| CN-1196040-A | 1, 1-difluoro-1, 4-dichlorobutane and preparation method thereof | ZENECA LTD (GB) | 1998-10-14 | — | — | CN | disclosed |