⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17723850 | 0.94 | ALDH1A1 (0.35) | — | |
| SCHEMBL23330446 | 0.92 | ALDH1A1 (0.37) | — | |
| SCHEMBL22812407 | 0.92 | ALDH1A1 (0.37) | — | |
| SCHEMBL23568304 | 0.92 | ALDH1A1 (0.37) | — | |
| SCHEMBL24226852 | 0.92 | ALDH1A1 (0.37) | — | |
| SCHEMBL19186534 | 0.88 | ALDH1A1 (0.47) | — | |
| SCHEMBL20663106 | 0.88 | ALDH1A1 (0.47) | — | |
| SCHEMBL25609384 | 0.88 | ALDH1A1 (0.39) | — | |
| SCHEMBL12848699 | 0.86 | ALDH1A1 (0.44) | — | |
| SCHEMBL25146996 | 0.86 | ALDH1A1 (0.44) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3556826-B1 | LIQUID CRYSTAL ALIGNING AGENT COMPOSITION, METHOD FOR MANUFACTURING LIQUID CRYSTAL ALIGNING FILM USING SAME, AND LIQUID CRYSTAL ALIGNING FILM USING SAME | LG CHEMICAL LTD (KR) | 2021-03-03 | — | — | EP | disclosed |