⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8604366 | 0.84 | TRPA1 (0.50) | — | |
| SCHEMBL1904032 | 0.82 | TRPA1 (0.45) | — | |
| SCHEMBL22907855 | 0.79 | ALDH1A1 (0.47) | — | |
| SCHEMBL1911085 | 0.79 | — | — | |
| SCHEMBL130260 | 0.79 | — | — | |
| SCHEMBL15484776 | 0.79 | — | — | |
| SCHEMBL15308202 | 0.79 | — | — | |
| SCHEMBL803810 | 0.77 | ALDH1A1 (0.60) | — | |
| SCHEMBL28762 | 0.77 | — | — | |
| SCHEMBL25275377 | 0.77 | — | — |
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-20140239241-A1 | SYNTHESIS OF OIL-SOLUBLE NEW COMPOSITIONS USED FOR DSERSING PIGMENT NANOPARTICLES AND THEIR APPLCATION ON ELECTROWETTING DISPLAY | NATIONAL TAIWAN UNIVERSITY (TW) | 2014-08-28 | — | — | US | disclosed |