⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10208009 | 0.87 | KDM4E (0.31) | — | |
| SCHEMBL12270969 | 0.75 | THRB (0.41) | — | |
| SCHEMBL2234565 | 0.74 | ALDH1A1 (0.42) | — | |
| SCHEMBL27706528 | 0.71 | THRB (0.33) | — | |
| SCHEMBL10517501 | 0.71 | EPHX1 (0.39) | — | |
| SCHEMBL16412279 | 0.71 | EPHX1 (0.39) | — | |
| SCHEMBL10168263 | 0.71 | TSHR (0.37) | — | |
| SCHEMBL9801519 | 0.70 | KDM4E (0.34) | — | |
| SCHEMBL17852174 | 0.69 | TRPM8 (0.46) | — | |
| SCHEMBL253275 | 0.68 | EPHX1 (0.39) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20120112142-A1 | CURABLE COLORING COMPOSITION, COLOR FILTER AND METHOD FOR PRODUCING SAME, AND QUINOPHTHALONE DYE | FUJIFILM CORPORATION (JP) | 2012-05-10 | — | — | US | disclosed |