⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22247 | 0.82 | — | — | |
| SCHEMBL19970453 | 0.82 | ALDH1A1 (0.60) | — | |
| SCHEMBL9639226 | 0.78 | ALDH1A1 (0.56) | — | |
| Ether SCHEMBL6736832 | 0.78 | ALDH1A1 (0.56) | — | |
| SCHEMBL217593 | 0.78 | ALDH1A1 (0.56) | — | |
| SCHEMBL989839 | 0.78 | ALDH1A1 (0.56) | — | |
| SCHEMBL9639301 | 0.78 | ALDH1A1 (0.56) | — | |
| SCHEMBL987828 | 0.78 | ALDH1A1 (0.56) | — | |
| SCHEMBL5839297 | 0.78 | ALDH1A1 (0.56) | — | |
| SCHEMBL1204192 | 0.78 | ALDH1A1 (0.56) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2021112092-A1 | POLYMER COMPOSITION, LIQUID CRYSTAL ALIGINING AGENT, LIQUID CRYSTAL ALIGNMENT FILM, LIQUID CRYSTAL DISPLAY ELEMENT, AND METHOD FOR PRODUCING LIQUID CRYSTAL DISPLAY ELEMENT | 日産化学株式会社 | 2021-06-10 | — | — | WO | disclosed |
| WO-2020085450-A1 | LIQUID CRYSTAL ALIGNING AGENT, LIQUID CRYSTAL ALIGNMENT FILM AND LIQUID CRYSTAL DISPLAY ELEMENT | 日産化学株式会社 | 2020-04-30 | — | — | WO | disclosed |