⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4353203 | 0.78 | LMNA (0.31) | — | |
| SCHEMBL18691188 | 0.78 | LMNA (0.31) | — | |
| Acrylamide SCHEMBL28037059 | 0.73 | TSHR (0.42) | — | |
| SCHEMBL3113903 | 0.73 | CA5A (0.36) | — | |
| SCHEMBL8895269 | 0.73 | CA5A (0.36) | — | |
| SCHEMBL28120921 | 0.70 | — | — | |
| SCHEMBL2724872 | 0.70 | TSHR (0.46) | — | |
| SCHEMBL1051271 | 0.69 | — | — | |
| SCHEMBL1162668 | 0.69 | — | — | |
| SCHEMBL5147439 | 0.69 | — | — |
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-2589631-B1 | INK COMPOSITION, INKJET RECORDING METHOD AND COLORED BODY | NIPPON KAYAKU KK (JP) | 2014-08-20 | — | — | EP | disclosed |