⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13911107 | 0.86 | — | — | |
| SCHEMBL12216663 | 0.80 | ALDH1A1 (0.37) | — | |
| SCHEMBL14442045 | 0.78 | KDM4E (0.32) | — | |
| SCHEMBL12715229 | 0.76 | — | — | |
| SCHEMBL12715227 | 0.76 | — | — | |
| SCHEMBL12715202 | 0.75 | — | — | |
| SCHEMBL14562219 | 0.73 | APP (0.37) | — | |
| SCHEMBL12744322 | 0.72 | — | — | |
| SCHEMBL12715235 | 0.71 | — | — | |
| SCHEMBL12744382 | 0.70 | KDM4E (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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8039630-B2 | Cationic compound, dye compound and method of using the same, and optical information recording medium | FUJIFILM CORPORATION (JP) | 2011-10-18 | — | — | US | disclosed |
| US-20090130367-A1 | CATIONIC COMPOUND, DYE COMPOUND AND METHOD OF USING THE SAME, AND OPTICAL INFORMATION RECORDING MEDIUM | FUJIFILM CORPORATION (JP) | 2009-05-21 | — | — | US | disclosed |