⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL810556 | 0.84 | KDM4E (0.31) | — | |
| SCHEMBL810293 | 0.81 | TTR (0.39) | — | |
| SCHEMBL810019 | 0.76 | PTGS1 (0.38) | — | |
| SCHEMBL5885438 | 0.73 | CYP1A2 (0.41) | — | |
| SCHEMBL30443328 | 0.73 | CYP1A2 (0.41) | — | |
| SCHEMBL23120387 | 0.71 | IDO1 (0.38) | — | |
| SCHEMBL21547179 | 0.71 | CYP2A6 (0.34) | — | |
| SCHEMBL809503 | 0.69 | HTR2C (0.31) | — | |
| SCHEMBL5885608 | 0.69 | CYP1A2 (0.44) | — | |
| SCHEMBL30872875 | 0.69 | CYP1A2 (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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2012015977-A3 | HIGHLY PORTABLE AND STABLE WORK STATION | HERSCHLER MATTHEW B (US) | 2012-05-10 | — | — | WO | disclosed |
| EP-2192645-B1 | SEPARATION MEMBRANE FOR DIRECT LIQUID FUEL CELL AND METHOD FOR PRODUCING THE SAME | TOKUYAMA CORP (JP) | 2011-11-30 | — | — | EP | disclosed |
| US-20110250525-A1 | SEPARATION MEMBRANE FOR DIRECT LIQUID FUEL CELL AND METHOD FOR PRODUCING THE SAME | TOKUYAMA CORPORATION (JP) | 2011-10-13 | — | — | US | disclosed |
| EP-2192645-A1 | SEPARATION MEMBRANE FOR DIRECT LIQUID FUEL CELL AND METHOD FOR PRODUCING THE SAME | Tokuyama Corporation (JP) | 2010-06-02 | — | — | EP | disclosed |