⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10054243 | 1.00 | — | — | |
| SCHEMBL12285984 | 0.87 | TSHR (0.31) | — | |
| SCHEMBL12286335 | 0.85 | TSHR (0.30) | — | |
| SCHEMBL14649008 | 0.84 | ALDH1A1 (0.33) | — | |
| SCHEMBL19186464 | 0.83 | — | — | |
| SCHEMBL16369108 | 0.83 | — | — | |
| SCHEMBL17236486 | 0.82 | PRKCA (0.32) | — | |
| SCHEMBL17322693 | 0.82 | HSD11B1 (0.30) | — | |
| SCHEMBL13449672 | 0.81 | — | — | |
| SCHEMBL14997756 | 0.81 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2105478-B1 | Inkjet recording method and inkjet recording system | FUJIFILM CORP (JP) | 2018-02-28 | — | — | EP | disclosed |