⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7298054 | 0.97 | — | — | |
| SCHEMBL7297973 | 0.97 | GAA (0.47) | — | |
| SCHEMBL4884899 | 0.91 | — | — | |
| SCHEMBL21634 | 0.81 | TSHR (0.53) | — | |
| SCHEMBL9066931 | 0.81 | TSHR (0.53) | — | |
| SCHEMBL152123 | 0.81 | TSHR (0.53) | — | |
| SCHEMBL7926003 | 0.81 | TSHR (0.53) | — | |
| SCHEMBL8850903 | 0.81 | TSHR (0.53) | — | |
| SCHEMBL10476209 | 0.81 | TSHR (0.53) | — | |
| SCHEMBL148805 | 0.81 | TSHR (0.53) | — |
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-10190009-B2 | Ink composition, ink jet recording method using same, and colored material | NIPPON KAYAKU KABUSHIKI KAISHA (JP) | 2019-01-29 | — | — | US | disclosed |
| US-20160160065-A1 | INK COMPOSITION, INK JET RECORDING METHOD USING SAME, AND COLORED MATERIAL | NIPPON KAYAKU KABUSHIKI KAISHA (JP) | 2016-06-09 | — | — | US | disclosed |
| EP-3015516-A1 | INK COMPOSITION, INK JET RECORDING METHOD USING SAME, AND COLORED MATERIAL | Nippon Kayaku Kabushiki Kaisha (JP) | 2016-05-04 | — | — | EP | disclosed |