⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4929 | 0.87 | — | — | |
| Fluoride SCHEMBL31072234 | 0.75 | — | — | |
| SCHEMBL6274290 | 0.75 | — | — | |
| SCHEMBL16731964 | 0.75 | — | — | |
| SCHEMBL1069868 | 0.75 | — | — | |
| Bromide SCHEMBL6469286 | 0.75 | — | — | |
| SCHEMBL5189499 | 0.75 | — | — | |
| SCHEMBL7032713 | 0.75 | — | — | |
| SCHEMBL4369955 | 0.75 | — | — | |
| SCHEMBL8960321 | 0.75 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-6624179-B1 | Analyzed by reversed phase liquid chromatography in which a packing comprising silica having chemically bonded thereto an alkyl group selected from trimethyl, octyl and octadecyl, is used as the stationary phase, and a polar solvent selected | ISHIHARA SANGYO KAISHA LTD. (JP) | 2003-09-23 | — | — | US | disclosed |
| EP-1201646-A1 | GEOMETRICAL ISOMER OF ACRYLONITRILE COMPOUND, MIXTURE THEREOF, AND PROCESS FOR PRODUCING THESE | ISHIHARA SANGYO KAISHA, LTD. (JP) | 2002-05-02 | — | — | EP | disclosed |
| US-3979458-A | Production of unsaturated carbocyclic ketones | SYNTEX CORPORATION (PM) | 1976-09-07 | — | — | US | disclosed |