⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12488303 | 1.00 | — | — | |
| SCHEMBL22104721 | 0.85 | — | — | |
| SCHEMBL13220403 | 0.85 | — | — | |
| SCHEMBL7156750 | 0.76 | ALDH1A1 (0.33) | — | |
| SCHEMBL7156753 | 0.76 | ALDH1A1 (0.33) | — | |
| SCHEMBL12086046 | 0.75 | — | — | |
| SCHEMBL18911600 | 0.75 | — | — | |
| SCHEMBL18911741 | 0.75 | — | — | |
| SCHEMBL8348123 | 0.75 | ALDH1A1 (0.30) | — | |
| SCHEMBL9971014 | 0.75 | ALDH1A1 (0.30) | — |
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-2582769-B1 | ORGANIC ELECTRONIC DEVICES COMPRISING A LAYER OF A DIBENZOFURANE COMPOUND AND A 8-HYDROXYQUINOLINOLATO EARTH ALKALINE METAL, OR ALKALI METAL COMPLEX | BASF SE (DE) | 2014-11-19 | — | — | EP | disclosed |
| US-8765961-B2 | Near infrared fluorescent imaging agent | FUJIFILM CORPORATION (JP) | 2014-07-01 | — | — | US | disclosed |
| US-20110054181-A1 | NEAR INFRARED FLUORESCENT IMAGING AGENT | FUJIFILM CORPORATION (JP) | 2011-03-03 | — | — | US | disclosed |