⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2879492 | 0.77 | TSHR (0.35) | — | |
| SCHEMBL134194 | 0.77 | — | — | |
| SCHEMBL476341 | 0.76 | CES1 (0.46) | — | |
| SCHEMBL8162675 | 0.70 | CES1 (0.61) | — | |
| SCHEMBL4824206 | 0.70 | — | — | |
| SCHEMBL4822661 | 0.69 | SRD5A1 (0.41) | — | |
| SCHEMBL2885325 | 0.69 | TSHR (0.50) | — | |
| SCHEMBL23194 | 0.68 | MAOA (0.46) | — | |
| SCHEMBL1380751 | 0.68 | CASP1 (0.44) | — | |
| SCHEMBL15062622 | 0.68 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2005103200-A1 | CHIRAL SMECTIC LIQUID CRYSTAL MIXTURE | AZ ELECTRONIC MATERIALS (GERMANY) GMBH (DE) | 2005-11-03 | — | — | WO | claimed |
| EP-1591512-A1 | Chiral smectic liquid crystal mixture | AZ Electronic Materials (Germany) GmbH (DE) | 2005-11-02 | — | — | EP | claimed |
| WO-2005103200-A1 | CHIRAL SMECTIC LIQUID CRYSTAL MIXTURE | AZ ELECTRONIC MATERIALS (GERMANY) GMBH (DE) | 2005-11-03 | — | — | WO | disclosed |
| EP-1591512-A1 | Chiral smectic liquid crystal mixture | AZ Electronic Materials (Germany) GmbH (DE) | 2005-11-02 | — | — | EP | disclosed |