⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18784079 | 0.91 | — | — | |
| SCHEMBL18872219 | 0.91 | — | — | |
| SCHEMBL13390519 | 0.91 | — | — | |
| SCHEMBL12138752 | 0.91 | — | — | |
| SCHEMBL21010661 | 0.88 | — | — | |
| SCHEMBL15133755 | 0.76 | INPP5A (0.30) | — | |
| SCHEMBL24798469 | 0.72 | CA1 (0.31) | — | |
| SCHEMBL17772385 | 0.70 | — | — | |
| SCHEMBL13980885 | 0.69 | — | — | |
| SCHEMBL13478090 | 0.69 | — | — |
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 |