⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3928407 | 0.69 | — | — | |
| SCHEMBL2947205 | 0.69 | — | — | |
| SCHEMBL9046365 | 0.69 | — | — | |
| SCHEMBL1015604 | 0.67 | — | — | |
| SCHEMBL4361876 | 0.66 | CA1 (0.35) | — | |
| SCHEMBL32997 | 0.65 | — | — | |
| SCHEMBL1577017 | 0.65 | — | — | |
| Ethylene SCHEMBL27618713 | 0.64 | — | — | |
| SCHEMBL2334353 | 0.64 | — | — | |
| SCHEMBL28147177 | 0.62 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-7785675-B2 | Compound and liquid crystal composition | ADEKA CORPORATION (JP) | 2010-08-31 | — | — | US | disclosed |
| US-20090103041-A1 | Novel compound and liquid crystal composition | ADEKA CORPORATION (JP) | 2009-04-23 | — | — | US | disclosed |