⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL383965 | 0.76 | — | — | |
| SCHEMBL7212473 | 0.74 | — | — | |
| SCHEMBL634237 | 0.74 | — | — | |
| SCHEMBL6360698 | 0.74 | — | — | |
| SCHEMBL5194011 | 0.72 | — | — | |
| SCHEMBL17049105 | 0.70 | TSHR (0.36) | — | |
| SCHEMBL375634 | 0.67 | LMNA (0.53) | — | |
| SCHEMBL1766162 | 0.65 | LMNA (0.50) | — | |
| SCHEMBL1766170 | 0.65 | LMNA (0.50) | — | |
| SCHEMBL22771166 | 0.65 | LMNA (0.50) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20240018376-A1 | AQUEOUS ADDITIVE SOLUTION FOR INK COMPOSITION, AQUEOUS COLORANT SOLUTION FOR INK COMPOSITION, INK COMPOSITION, INK COMPOSITION FOR INK JET RECORDING, AND INK JET RECORDING METHOD | FUJIFILM CORPORATION (JP) | 2024-01-18 | — | — | US | disclosed |
| US-9139954-B2 | Aqueous coloring composition for textile printing, textile printing method, and fabric | FUJIFILM CORPORATION (JP) | 2015-09-22 | — | — | US | disclosed |