⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5321711 | 0.77 | HCAR2 (0.48) | — | |
| SCHEMBL10889197 | 0.72 | — | — | |
| SCHEMBL10889201 | 0.72 | — | — | |
| SCHEMBL11388286 | 0.72 | — | — | |
| SCHEMBL467876 | 0.72 | — | — | |
| SCHEMBL11388283 | 0.72 | — | — | |
| SCHEMBL14306027 | 0.72 | — | — | |
| SCHEMBL357255 | 0.72 | — | — | |
| SCHEMBL4198201 | 0.72 | — | — | |
| Furan-3-Carbaldehyde SCHEMBL133204 | 0.72 | — | — |
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 |