⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1707282 | 0.79 | — | — | |
| SCHEMBL29875378 | 0.77 | — | — | |
| SCHEMBL1282140 | 0.77 | — | — | |
| SCHEMBL457223 | 0.77 | — | — | |
| SCHEMBL23917887 | 0.76 | UHRF1 (0.48) | — | |
| SCHEMBL1707627 | 0.76 | UHRF1 (0.48) | — | |
| SCHEMBL28965787 | 0.74 | NOS2 (0.48) | — | |
| SCHEMBL6982115 | 0.73 | — | — | |
| SCHEMBL5017727 | 0.73 | — | — | |
| SCHEMBL23909426 | 0.72 | KDM4E (0.54) | — |
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-20100233415-A1 | OPTICAL RECORDING MEDIUM AND AZO METAL CHELATE COMPOUND | MITSUI CHEMICALS, INC. (JP) | 2010-09-16 | — | — | US | disclosed |
| EP-1997856-A1 | OPTICAL RECORDING MEDIUM AND AZO METAL CHELATE COMPOUND | Mitsui Chemicals, Inc. (JP) | 2008-12-03 | — | — | EP | disclosed |