⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL196024 | 0.78 | — | — | |
| Water SCHEMBL6010194 | 0.76 | POLB (0.50) | — | |
| SCHEMBL2870669 | 0.74 | — | — | |
| SCHEMBL2871343 | 0.74 | — | — | |
| SCHEMBL3092974 | 0.72 | — | — | |
| SCHEMBL4484478 | 0.70 | ALDH1A1 (0.40) | — | |
| SCHEMBL8781779 | 0.67 | — | — | |
| SCHEMBL1427726 | 0.67 | — | — | |
| SCHEMBL3096827 | 0.67 | — | — | |
| SCHEMBL508369 | 0.67 | — | — |
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 3 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 |
| EP-0286813-A2 | Renin-inhibiting amino acid derivatives | MERCK PATENT GmbH (DE) | 1988-10-19 | — | — | EP | disclosed |