⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8728484 | 1.00 | — | — | |
| SCHEMBL4665537 | 1.00 | — | — | |
| SCHEMBL8729544 | 0.76 | — | — | |
| SCHEMBL8729548 | 0.76 | — | — | |
| SCHEMBL974374 | 0.72 | — | — | |
| SCHEMBL3462181 | 0.72 | — | — | |
| SCHEMBL3462183 | 0.72 | — | — | |
| SCHEMBL19974033 | 0.69 | — | — | |
| SCHEMBL147005 | 0.69 | — | — | |
| SCHEMBL19974259 | 0.69 | ALDH1A1 (0.38) | — |
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-20080193700-A1 | Metal Chelates and Their Use in Optical Recording Media Having High Storage Capacity | CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) | 2008-08-14 | — | — | US | disclosed |
| EP-1743333-A1 | METAL CHELATES AND THEIR USE IN OPTICAL RECORDING MEDIA HAVING HIGH STORAGE CAPACITY | CIBA SPECIALTY CHEMICALS HOLDING INC. Patent Departement (CH) | 2007-01-17 | — | — | EP | disclosed |
| WO-2005106868-A1 | METAL CHELATES AND THEIR USE IN OPTICAL RECORDING MEDIA HAVING HIGH STORAGE CAPACITY | CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) | 2005-11-10 | — | — | WO | disclosed |