⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL293064 | 0.95 | — | — | |
| SCHEMBL755811 | 0.92 | ALDH1A1 (0.33) | — | |
| SCHEMBL15611375 | 0.92 | ALDH1A1 (0.33) | — | |
| SCHEMBL15611655 | 0.92 | — | — | |
| SCHEMBL3789161 | 0.92 | ALDH1A1 (0.33) | — | |
| SCHEMBL753934 | 0.87 | — | — | |
| SCHEMBL114377 | 0.87 | — | — | |
| Ammonia Solution, Strong SCHEMBL27840158 | 0.84 | — | — | |
| Butadiene SCHEMBL7754390 | 0.81 | ALDH1A1 (0.30) | — | |
| SCHEMBL8361353 | 0.81 | TSHR (0.38) | — |
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-20080199631-A1 | Mixture of polymer and oligomer; curing ; recording images by discharging ink curable by radiation | FUJIFILM CORPORATION (JP) | 2008-08-21 | — | — | US | disclosed |