⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8253065 | 0.89 | ALDH1A1 (0.45) | — | |
| SCHEMBL13350412 | 0.89 | TSHR (0.46) | — | |
| SCHEMBL2628288 | 0.88 | CYP2A6 (0.41) | — | |
| SCHEMBL7864074 | 0.83 | HTR2C (0.57) | — | |
| SCHEMBL13070957 | 0.80 | CASP1 (0.37) | — | |
| SCHEMBL14632113 | 0.79 | CYP2A6 (0.54) | — | |
| SCHEMBL12152856 | 0.79 | CYP2A6 (0.54) | — | |
| SCHEMBL17721295 | 0.76 | MAOA (0.59) | — | |
| SCHEMBL7866921 | 0.76 | DRD2 (0.53) | — | |
| SCHEMBL14138715 | 0.76 | ASIC3 (0.62) | — |
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-2770006-A1 | CROSS-LINKING POLYMER AND ORGANIC ELECTROLUMINESCENT ELEMENT USING SAME | Idemitsu Kosan Co., Ltd (JP) | 2014-08-27 | — | — | EP | disclosed |
| EP-2492988-A1 | ORGANIC ELECTROLUMINESCENT ELEMENT | Sumitomo Chemical Company, Limited (JP) | 2012-08-29 | — | — | EP | disclosed |
| WO-2012003482-A2 | HOLE TRANSPORT COMPOSITIONS AND RELATED DEVICES AND METHODS (II) | PLEXTRONICS, INC. (US) | 2012-01-05 | — | — | WO | disclosed |