⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14765358 | 0.94 | TSHR (0.32) | — | |
| SCHEMBL9972793 | 0.89 | KMT2A (0.35) | — | |
| SCHEMBL10453862 | 0.89 | KMT2A (0.35) | — | |
| SCHEMBL12766468 | 0.81 | KMT2A (0.31) | — | |
| SCHEMBL9972789 | 0.80 | NPC1 (0.34) | — | |
| SCHEMBL13159973 | 0.80 | KMT2A (0.33) | — | |
| SCHEMBL10331433 | 0.79 | KMT2A (0.38) | — | |
| SCHEMBL13159970 | 0.78 | KMT2A (0.35) | — | |
| SCHEMBL9972787 | 0.78 | KMT2A (0.35) | — | |
| SCHEMBL12759198 | 0.78 | NPC1 (0.34) | — |
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-20120165438-A1 | AQUEOUS PIGMENT DISPERSION AND AQUEOUS INK FOR INK JET RECORDING | FUJIFILM CORPORATION (JP) | 2012-06-28 | — | — | US | disclosed |