⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17707242 | 0.91 | — | — | |
| SCHEMBL10093787 | 0.84 | MEN1 (0.39) | — | |
| SCHEMBL17707229 | 0.80 | GAA (0.42) | — | |
| SCHEMBL10935554 | 0.80 | — | — | |
| SCHEMBL5176428 | 0.80 | GAA (0.47) | — | |
| SCHEMBL5174979 | 0.80 | GAA (0.47) | — | |
| SCHEMBL8686835 | 0.78 | MEN1 (0.56) | — | |
| SCHEMBL11140975 | 0.78 | MEN1 (0.58) | — | |
| SCHEMBL7293437 | 0.78 | GAA (0.45) | — | |
| SCHEMBL5814843 | 0.78 | — | — |
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 5 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 |
| CN-105452398-B | Composition for ink, ink jet recording method and tingle body using this composition for ink | 日本化药株式会社 | 2018-07-10 | — | — | CN | 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 |
| CN-105452398-A | Ink composition, ink jet recording method using same, and colored material | NIPPON KAYAKU KK | 2016-03-30 | — | — | CN | disclosed |