⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1132650 | 0.88 | TSHR (0.37) | — | |
| SCHEMBL28040194 | 0.87 | TSHR (0.33) | — | |
| SCHEMBL1132438 | 0.85 | TSHR (0.39) | — | |
| SCHEMBL28040196 | 0.84 | TSHR (0.34) | — | |
| SCHEMBL28193407 | 0.84 | TSHR (0.38) | — | |
| SCHEMBL21360070 | 0.80 | TSHR (0.35) | — | |
| SCHEMBL21625001 | 0.79 | TSHR (0.34) | — | |
| SCHEMBL1144355 | 0.78 | TSHR (0.40) | — | |
| SCHEMBL28205294 | 0.78 | FAAH (0.35) | — | |
| SCHEMBL28106154 | 0.78 | — | — |
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-103820129-B | Aligning agent for liquid crystal, liquid crystal orientation film and forming method thereof, the phase retardation film of liquid crystal display cells and liquid crystal cells | JSR株式会社 | 2016-09-21 | — | — | CN | disclosed |