⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9438183 | 0.75 | — | — | |
| SCHEMBL4131162 | 0.63 | — | — | |
| SCHEMBL11242432 | 0.60 | — | — | |
| SCHEMBL424149 | 0.60 | — | — | |
| SCHEMBL7683528 | 0.60 | — | — | |
| SCHEMBL648167 | 0.60 | — | — | |
| SCHEMBL6411786 | 0.58 | — | — | |
| SCHEMBL3123282 | 0.58 | — | — | |
| SCHEMBL11800150 | 0.54 | — | — | |
| SCHEMBL6216231 | 0.54 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1094053-B1 | Method of preparing fluoroaromatic compounds | ZELINSKY INST OF ORGANIC CHEMI (RU) | 2003-05-21 | — | — | EP | disclosed |
| EP-1094053-A1 | Method of preparing fluoroaromatic compounds | Zelinsky Institute of Organic Chemistry (RU) | 2001-04-25 | — | — | EP | disclosed |
| US-6008407-A | REACTING CHLOROTRIFLUOROETHYLENE AND 1,3-BUTADIENE TO PRODUCE CHLOROTRIFLUOROCYCLOHEXENES, DEHYDROHALOGENATING THE MIXTURE OF CYCLOHEXENES WITH PHASE TRANSFER CATALYST IN PRESENCE OF ALKALI METAL HYDROXIDE WITHOUT SOLVENT | ZELINSKY INSTITUTE OF ORGANIC CHEMISTRY (RU) | 1999-12-28 | — | — | US | disclosed |