⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4267875 | 0.73 | ALDH1A1 (0.34) | — | |
| SCHEMBL1105725 | 0.65 | — | — | |
| SCHEMBL13975662 | 0.65 | — | — | |
| SCHEMBL666803 | 0.63 | — | — | |
| SCHEMBL19558001 | 0.63 | — | — | |
| SCHEMBL13270484 | 0.61 | — | — | |
| SCHEMBL4267490 | 0.61 | ALDH1A1 (0.35) | — | |
| SCHEMBL1412639 | 0.60 | — | — | |
| SCHEMBL10133988 | 0.57 | — | — | |
| SCHEMBL487080 | 0.56 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20140042411-A1 | METHOD FOR PURIFYING ORGANIC MATERIAL, MATERIAL FOR ORGANIC ELECTRONICS, PHOTOELECTRIC CONVERSION DEVICE, OPTICAL SENSOR, IMAGING DEVICE, AND ORGANIC ELECTROLUMINESCENCE DEVICE | FUJIFILM CORPORATION (JP) | 2014-02-13 | — | — | US | disclosed |