⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1464611 | 0.74 | ALDH1A1 (0.37) | — | |
| SCHEMBL11711876 | 0.74 | ALDH1A1 (0.31) | — | |
| SCHEMBL423372 | 0.71 | — | — | |
| SCHEMBL7027640 | 0.69 | — | — | |
| SCHEMBL15393297 | 0.69 | TSHR (0.32) | — | |
| SCHEMBL110016 | 0.69 | ALDH1A1 (0.46) | — | |
| SCHEMBL15288967 | 0.67 | — | — | |
| SCHEMBL1761172 | 0.66 | TSHR (0.33) | — | |
| SCHEMBL25131085 | 0.64 | — | — | |
| SCHEMBL10945943 | 0.64 | ALDH1A1 (0.37) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2090624-B1 | Ink set for inkjet recording and image recording method | FUJIFILM CORP (JP) | 2013-01-23 | — | — | EP | disclosed |
| EP-2090624-A1 | Ink set for inkjet recording and image recording method | FUJIFILM Corporation (JP) | 2009-08-19 | — | — | EP | disclosed |