⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL756510 | 0.80 | ALDH1A1 (0.42) | — | |
| SCHEMBL1578946 | 0.80 | — | — | |
| SCHEMBL2944780 | 0.70 | TSHR (0.38) | — | |
| SCHEMBL7236157 | 0.69 | ITGB2 (0.40) | — | |
| SCHEMBL178511 | 0.69 | — | — | |
| SCHEMBL12477074 | 0.67 | — | — | |
| SCHEMBL11264401 | 0.67 | — | — | |
| SCHEMBL13624821 | 0.67 | — | — | |
| SCHEMBL1435531 | 0.67 | — | — | |
| SCHEMBL12477073 | 0.67 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-106047373-A | Liquid crystal aligning agent, liquid crystal alignment film, and liquid crystal element | JSR株式会社 | 2016-10-26 | — | — | CN | disclosed |