⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL304561 | 0.77 | — | — | |
| SCHEMBL16742535 | 0.77 | — | — | |
| SCHEMBL444843 | 0.77 | — | — | |
| SCHEMBL28950071 | 0.71 | APP (0.46) | — | |
| SCHEMBL28182906 | 0.71 | ALDH1A1 (0.38) | — | |
| SCHEMBL1477323 | 0.69 | HDAC8 (0.40) | — | |
| SCHEMBL3083427 | 0.69 | — | — | |
| SCHEMBL29366238 | 0.67 | — | — | |
| SCHEMBL687180 | 0.67 | KDM4E (0.55) | — | |
| SCHEMBL29769309 | 0.67 | KDM4E (0.55) | — |
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 |