⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10049612 | 0.76 | GFER (0.47) | — | |
| SCHEMBL10064152 | 0.73 | — | — | |
| SCHEMBL12451910 | 0.71 | — | — | |
| SCHEMBL16249203 | 0.71 | — | — | |
| SCHEMBL6445309 | 0.71 | — | — | |
| SCHEMBL14103479 | 0.71 | — | — | |
| SCHEMBL8347954 | 0.71 | TRPA1 (0.50) | — | |
| SCHEMBL8289181 | 0.71 | — | — | |
| SCHEMBL16790914 | 0.71 | — | — | |
| SCHEMBL8275493 | 0.71 | — | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2529793-A2 | Compositions for regulating or modulating quorum sensing in bacteria, methods of using the compounds, and methods of regulating or modulating quorum sensing in bacteria | Georgia State University Research Foundation, Inc. (US) | 2012-12-05 | — | — | EP | disclosed |
| WO-2012038813-A1 | BUPRENORPHINE ANALOGS | PURDUE PHARMA L.P. (US) | 2012-03-29 | — | — | WO | disclosed |
| WO-2010029950-A1 | PROCESS FOR PRODUCING OPTICALLY ACTIVE EPOXY COMPOUND AND OPTICALLY ACTIVE SULFOXIDE COMPOUND, LIGAND AND COMPLEX FOR USE IN THE PROCESS, AND PROCESS FOR PRODUCING THE COMPLEX | 日産化学工業株式会社 (JP) | 2010-03-18 | — | — | WO | disclosed |
| WO-2009144201-A1 | IMIDAZOPYRIDINE DERIVATIVES AS GPR4 RECEPTOR MODULATORS | NOVARTIS AG (CH) | 2009-12-03 | — | — | WO | disclosed |
| WO-2009061314-A1 | HOLE TRANSPORT POLYMER FOR USE IN ELECTRONIC DEVICES | DYNAMIC ORGANIC LIGHT, INC. (US) | 2009-05-14 | — | — | WO | disclosed |
| WO-2009012252-A1 | AMINOALKYLAZOLE DERIVATIVES AS HISTAMINE-3 ANTAGONISTS | WYETH (US) | 2009-01-22 | — | — | WO | disclosed |
| WO-2003024448-A2 | INHIBITORS OF HISTONE DEACETYLASE | METHYLGENE, INC. (CA) | 2003-03-27 | — | — | WO | disclosed |