⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25426804 | 0.84 | — | — | |
| Hydrochloric Acid SCHEMBL6228528 | 0.80 | — | — | |
| SCHEMBL483728 | 0.57 | — | — | |
| SCHEMBL18694999 | 0.51 | — | — | |
| SCHEMBL24425413 | 0.51 | — | — | |
| SCHEMBL3320271 | 0.51 | — | — | |
| SCHEMBL24425415 | 0.51 | — | — | |
| SCHEMBL858269 | 0.51 | — | — | |
| SCHEMBL1130260 | 0.51 | — | — | |
| SCHEMBL17857749 | 0.44 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5639921-A | Method of producing difluoromethyl ethers and esters and ethers and esters produced thereby | SOLVAY FLUOR UND DERIVATE GMBH (DE) | 1997-06-17 | — | — | US | disclosed |
| US-5455371-A | Method of producing difluoromethyl ethers and esters and ethers and esters produced thereby | SOLVAY FLUOR UND DERIVATIVE GMBH (DE) | 1995-10-03 | — | — | US | disclosed |