⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28769093 | 0.87 | — | — | |
| SCHEMBL23494060 | 0.84 | — | — | |
| SCHEMBL23493966 | 0.80 | TSHR (0.33) | — | |
| SCHEMBL25894674 | 0.80 | TSHR (0.33) | — | |
| SCHEMBL13118857 | 0.80 | — | — | |
| SCHEMBL2528815 | 0.80 | — | — | |
| SCHEMBL27695930 | 0.80 | HPGD (0.31) | — | |
| SCHEMBL2530486 | 0.79 | CYP19A1 (0.42) | — | |
| SCHEMBL20712908 | 0.79 | INPP5A (0.32) | — | |
| SCHEMBL31612350 | 0.78 | EPHX1 (0.35) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-101075042-B | Liquid crystal orientational agent and liquid crystal display component | JSR CORP | 2010-11-24 | — | — | CN | disclosed |
| CN-101075042-A | Liquid crystal orientational agent and liquid crystal display component | JSR CORP (JP) | 2007-11-21 | — | — | CN | disclosed |