⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20647721 | 0.79 | — | — | |
| SCHEMBL13002464 | 0.78 | — | — | |
| SCHEMBL16475762 | 0.78 | — | — | |
| SCHEMBL18107483 | 0.73 | — | — | |
| SCHEMBL10035896 | 0.73 | — | — | |
| SCHEMBL18107309 | 0.73 | ALDH1A1 (0.33) | — | |
| SCHEMBL18231296 | 0.64 | — | — | |
| SCHEMBL13893958 | 0.64 | — | — | |
| SCHEMBL23990663 | 0.64 | — | — | |
| SCHEMBL17929021 | 0.64 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-11142697-B2 | Liquid crystal aligning agent composition, method for producing liquid crystal alignment film using same, and liquid crystal alignment film using same | LG CHEM, LTD. (KR) | 2021-10-12 | — | — | US | disclosed |