⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL104645 | 1.00 | — | — | |
| SCHEMBL7007183 | 0.87 | — | — | |
| SCHEMBL103963 | 0.82 | — | — | |
| SCHEMBL1004202 | 0.80 | TSHR (0.52) | — | |
| SCHEMBL100921 | 0.79 | — | — | |
| SCHEMBL12484960 | 0.78 | TSHR (0.50) | — | |
| SCHEMBL11289007 | 0.78 | TSHR (0.50) | — | |
| SCHEMBL28154776 | 0.78 | TSHR (0.50) | — | |
| SCHEMBL28154824 | 0.78 | TSHR (0.50) | — | |
| SCHEMBL3883638 | 0.78 | TSHR (0.50) | — |
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-1243714-C | Optical active compound and liquid crystal composition containing it | MITSUBISHI GAS CHEMICAL CO (JP) | 2006-03-01 | — | — | CN | disclosed |
| CN-1381438-A | Optical active compound and liquid crystal composition containing it | MITSUBISHI GAS CHEMICAL CO (JP) | 2002-11-27 | — | — | CN | disclosed |