⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15027497 | 1.00 | — | — | |
| SCHEMBL15027080 | 1.00 | — | — | |
| SCHEMBL18677764 | 0.77 | — | — | |
| SCHEMBL16789748 | 0.77 | — | — | |
| SCHEMBL243314 | 0.72 | — | — | |
| SCHEMBL1967681 | 0.72 | — | — | |
| SCHEMBL727887 | 0.72 | — | — | |
| SCHEMBL9932717 | 0.72 | — | — | |
| SCHEMBL24409011 | 0.72 | — | — | |
| SCHEMBL22482674 | 0.72 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2019195258-A1 | IMPROVED PROCESS FOR PREPARING CHLOROALKANES AND/OR CHLOROFLUOROALKANES | BLUE CUBE IP LLC (US) | 2019-10-10 | — | — | WO | disclosed |